[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate

C23H16N4O7 — CID 5233462

IUPAC[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H16N4O7/c28-22(14-9-16-5-10-18(11-6-16)26(30)31)34-19-12-7-17(8-13-19)15-24-25-23(29)20-3-1-2-4-21(20)27(32)33/h1-15H,(H,25,29)
InChIKeyZVRJIBRFRCMNMR-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.89
Rot. Bonds8

About [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate

[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate (PubChem CID 5233462) has the molecular formula C23H16N4O7 and a molecular weight of 460.40 g/mol. Its IUPAC name is [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
PubChem CID5233462
Molecular FormulaC23H16N4O7
Molecular Weight460.40 g/mol
Exact Mass460.10
IUPAC Name[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H16N4O7/c28-22(14-9-16-5-10-18(11-6-16)26(30)31)34-19-12-7-17(8-13-19)15-24-25-23(29)20-3-1-2-4-21(20)27(32)33/h1-15H,(H,25,29)
InChIKeyZVRJIBRFRCMNMR-UHFFFAOYSA-N
XLogP3.89
TPSA154.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
CID 5233463
[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6011138
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6087845
phenyl (E)-3-(4-nitrophenyl)prop-2-enoate
CID 8765455
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 3128054
methyl 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybenzoate
CID 2404751
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
[2-nitro-6-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 126228426
(4-cyanophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
CID 8765921

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
The IUPAC name of [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate (CID 5233462) is [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate.
What is the SMILES notation for [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
The canonical SMILES for [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate is O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
The InChIKey is ZVRJIBRFRCMNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O7/c28-22(14-9-16-5-10-18(11-6-16)26(30)31)34-19-12-7-17(8-13-19)15-24-25-23(29)20-3-1-2-4-21(20)27(32)33/h1-15H,(H,25,29).
What are the key properties of [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate?
[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate has a molecular weight of 460.40 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 5233462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).