2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline

C14H12N4O4 — CID 9059014

IUPAC2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4/c1-10(11-6-2-4-8-13(11)17(19)20)15-16-12-7-3-5-9-14(12)18(21)22/h2-9,16H,1H3/b15-10-
InChIKeyVXBDFGZKBAEGJV-GDNBJRDFSA-N
MW300.27 g/mol
LogP3.34
Rot. Bonds5

About 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline

2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline (PubChem CID 9059014) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
PubChem CID9059014
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4/c1-10(11-6-2-4-8-13(11)17(19)20)15-16-12-7-3-5-9-14(12)18(21)22/h2-9,16H,1H3/b15-10-
InChIKeyVXBDFGZKBAEGJV-GDNBJRDFSA-N
XLogP3.34
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.34
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

2-[(Z)-C-methyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135403129
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-2-nitroaniline
CID 9059030
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]benzene-1,3-diol;hydrate
CID 139083211
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
CID 135716763
N-[(E)-3-methylbutan-2-ylideneamino]-2-nitroaniline
CID 12591072
N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
CID 6326525
2-nitro-N-[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 6006376
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-nitroaniline
CID 9059152
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512
methyl N-(2-nitrophenyl)propanehydrazonate
CID 27210078
6-methyl-5-[2-[1-(2-nitrophenyl)ethylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2791373
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline?
The IUPAC name of 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline (CID 9059014) is 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline.
What is the SMILES notation for 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline?
The canonical SMILES for 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline is C/C(=N/Nc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline?
The InChIKey is VXBDFGZKBAEGJV-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H12N4O4/c1-10(11-6-2-4-8-13(11)17(19)20)15-16-12-7-3-5-9-14(12)18(21)22/h2-9,16H,1H3/b15-10-.
What are the key properties of 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline?
2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline has a molecular weight of 300.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline is sourced from PubChem (CID 9059014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).