[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15ClN4O7 MolecularWeight: 470.8194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN4O7/c22-15-8-7-14(11-17(15)25(29)30)24-20(27)19(12-4-2-1-3-5-12)33-21(28)13-6-9-16(23)18(10-13)26(31)32/h1-11,19H,23H2,(H,24,27)