N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide

C14H10N4O6 — CID 137173396

IUPACN-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O6/c19-13-10(2-1-3-12(13)18(23)24)8-15-16-14(20)9-4-6-11(7-5-9)17(21)22/h1-8,19H,(H,16,20)/b15-8-
InChIKeyVRSIWRDOODZBMC-NVNXTCNLSA-N
MW330.26 g/mol
LogP1.97
Rot. Bonds5

About N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide

N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 137173396) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID137173396
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC NameN-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O6/c19-13-10(2-1-3-12(13)18(23)24)8-15-16-14(20)9-4-6-11(7-5-9)17(21)22/h1-8,19H,(H,16,20)/b15-8-
InChIKeyVRSIWRDOODZBMC-NVNXTCNLSA-N
XLogP1.97
TPSA147.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide 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

N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 137122813
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
3,5-dibromo-4-hydroxy-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 137076595
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938
3-fluoro-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 3759979
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4310910
[2-nitro-6-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126232118
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
4-chloro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
CID 135579203

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide (CID 137173396) is N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is VRSIWRDOODZBMC-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-13-10(2-1-3-12(13)18(23)24)8-15-16-14(20)9-4-6-11(7-5-9)17(21)22/h1-8,19H,(H,16,20)/b15-8-.
What are the key properties of N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide?
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 330.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 137173396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).