4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate

C14H10N3O4- — CID 7329457

IUPAC4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H11N3O4/c18-14(19)11-3-1-10(2-4-11)9-15-16-12-5-7-13(8-6-12)17(20)21/h1-9,16H,(H,18,19)/p-1/b15-9-
InChIKeyPKSIGRHGOAUKCG-DHDCSXOGSA-M
MW284.25 g/mol
LogP1.40
Rot. Bonds5

About 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate

4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate (PubChem CID 7329457) has the molecular formula C14H10N3O4- and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
PubChem CID7329457
Molecular FormulaC14H10N3O4-
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H11N3O4/c18-14(19)11-3-1-10(2-4-11)9-15-16-12-5-7-13(8-6-12)17(20)21/h1-9,16H,(H,18,19)/p-1/b15-9-
InChIKeyPKSIGRHGOAUKCG-DHDCSXOGSA-M
XLogP1.40
TPSA107.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
[4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 3560230
4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoate
CID 7066822
4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
4-nitrobenzoate;vanadium
CID 172712620
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
4-nitro-N-[(Z)-(4-pyrrol-1-ylphenyl)methylideneamino]aniline
CID 40606782
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136913851
4-(4-methylphenyl)sulfonyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 9461260

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate (CID 7329457) is 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate is O=C([O-])c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate?
The InChIKey is PKSIGRHGOAUKCG-DHDCSXOGSA-M. The full InChI is InChI=1S/C14H11N3O4/c18-14(19)11-3-1-10(2-4-11)9-15-16-12-5-7-13(8-6-12)17(20)21/h1-9,16H,(H,18,19)/p-1/b15-9-.
What are the key properties of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate?
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate has a molecular weight of 284.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 7329457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).