4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline

C13H10N4O4 — CID 12706501

IUPAC4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
SMILESO=[N+]([O-])/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H10N4O4/c18-16(19)12-8-6-11(7-9-12)14-15-13(17(20)21)10-4-2-1-3-5-10/h1-9,14H/b15-13-
InChIKeyKVBDUTWMLSBAPO-SQFISAMPSA-N
MW286.25 g/mol
LogP2.65
Rot. Bonds4

About 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline

4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline (PubChem CID 12706501) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline.

Molecular Properties

Compound Name4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
PubChem CID12706501
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
SMILESO=[N+]([O-])/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H10N4O4/c18-16(19)12-8-6-11(7-9-12)14-15-13(17(20)21)10-4-2-1-3-5-10/h1-9,14H/b15-13-
InChIKeyKVBDUTWMLSBAPO-SQFISAMPSA-N
XLogP2.65
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
N-[(E)-[(4-methylphenyl)-nitromethylidene]amino]aniline
CID 6277211
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 101459660
N-[(E)-(5-chloro-1-phenylpentylidene)amino]-4-nitroaniline
CID 6378428
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline?
The IUPAC name of 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline (CID 12706501) is 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline.
What is the SMILES notation for 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline?
The canonical SMILES for 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline is O=[N+]([O-])/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline?
The InChIKey is KVBDUTWMLSBAPO-SQFISAMPSA-N. The full InChI is InChI=1S/C13H10N4O4/c18-16(19)12-8-6-11(7-9-12)14-15-13(17(20)21)10-4-2-1-3-5-10/h1-9,14H/b15-13-.
What are the key properties of 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline?
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline has a molecular weight of 286.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline is sourced from PubChem (CID 12706501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).