[[4-[(4-chlorophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-[(4-chlorophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(4-chlorobenzoyl)azoanilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-chlorophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(4-chlorobenzoyl)diazenyl]anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(4-chlorobenzoyl)azoanilino] ester Formula: C20H13ClN4O5 MolecularWeight: 424.79402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H13ClN4O5/c21-15-6-4-13(5-7-15)19(26)23-22-16-8-10-17(11-9-16)24-30-20(27)14-2-1-3-18(12-14)25(28)29/h1-12,24H