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

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15Cl2N3O5 MolecularWeight: 460.2669

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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)Cl)N

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)Cl)N

InChI

InChI=1S/C21H15Cl2N3O5/c22-15-8-6-13(10-17(15)24)21(28)31-19(12-4-2-1-3-5-12)20(27)25-14-7-9-16(23)18(11-14)26(29)30/h1-11,19H,24H2,(H,25,27)