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

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

Click to see the large picture

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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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