[[4-[(2-chlorophenyl)carbonyldiazenyl]phenyl]amino] 4-nitrobenzoate

Systemtic Name: [[4-[(2-chlorophenyl)carbonyldiazenyl]phenyl]amino] 4-nitrobenzoate Openeye Name: [4-(2-chlorobenzoyl)azoanilino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(2-chlorophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2-chlorobenzoyl)diazenyl]anilino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(2-chlorobenzoyl)azoanilino] ester Formula: C20H13ClN4O5 MolecularWeight: 424.79402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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