[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate

C23H19N3O7 — CID 126233873

IUPAC[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O7/c1-31-19-8-3-15(4-9-19)22(27)25-24-14-17-13-18(26(29)30)7-12-21(17)33-23(28)16-5-10-20(32-2)11-6-16/h3-14H,1-2H3,(H,25,27)/b24-14+
InChIKeyZQHXXAZSSXHDKE-ZVHZXABRSA-N
MW449.42 g/mol
LogP3.60
Rot. Bonds8

About [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate

[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate (PubChem CID 126233873) has the molecular formula C23H19N3O7 and a molecular weight of 449.42 g/mol. Its IUPAC name is [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate
PubChem CID126233873
Molecular FormulaC23H19N3O7
Molecular Weight449.42 g/mol
Exact Mass449.12
IUPAC Name[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O7/c1-31-19-8-3-15(4-9-19)22(27)25-24-14-17-13-18(26(29)30)7-12-21(17)33-23(28)16-5-10-20(32-2)11-6-16/h3-14H,1-2H3,(H,25,27)/b24-14+
InChIKeyZQHXXAZSSXHDKE-ZVHZXABRSA-N
XLogP3.60
TPSA129.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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'}

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Related Compounds

[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-chlorobenzoate
CID 126223684
[2-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1100671
[2-[(E)-(benzoylhydrazinylidene)methyl]-4-nitrophenyl] 3-methoxybenzoate
CID 126230398
[2-[(E)-(benzoylhydrazinylidene)methyl]-4-nitrophenyl] 4-bromobenzoate
CID 126228047
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] (E)-3-phenylprop-2-enoate
CID 126233950
[4-bromo-2-[[[3-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126228500
[4-chloro-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126229252
[2-[(E)-[[4-(2-methylpropanoylamino)benzoyl]hydrazinylidene]methyl]-4-nitrophenyl] 4-methylbenzoate
CID 126225967
[2-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 126230177
[2-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-nitrobenzoate
CID 126229343
[2-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-acetyloxy-3-methoxybenzoate
CID 126226492
[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-nitrophenyl] 4-methoxybenzoate
CID 6261751

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate?
The IUPAC name of [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate (CID 126233873) is [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate.
What is the SMILES notation for [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate?
The canonical SMILES for [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate is COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate?
The InChIKey is ZQHXXAZSSXHDKE-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H19N3O7/c1-31-19-8-3-15(4-9-19)22(27)25-24-14-17-13-18(26(29)30)7-12-21(17)33-23(28)16-5-10-20(32-2)11-6-16/h3-14H,1-2H3,(H,25,27)/b24-14+.
What are the key properties of [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate?
[2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate has a molecular weight of 449.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]-4-nitrophenyl] 4-methoxybenzoate is sourced from PubChem (CID 126233873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).