[[4-[(4-chlorophenyl)carbonyldiazenyl]phenyl]amino] 2,4-dinitrobenzoate

Systemtic Name: [[4-[(4-chlorophenyl)carbonyldiazenyl]phenyl]amino] 2,4-dinitrobenzoate Openeye Name: [4-(4-chlorobenzoyl)azoanilino] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-[(4-chlorophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(4-chlorobenzoyl)diazenyl]anilino] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-(4-chlorobenzoyl)azoanilino] ester Formula: C20H12ClN5O7 MolecularWeight: 469.79158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C20H12ClN5O7/c21-13-3-1-12(2-4-13)19(27)23-22-14-5-7-15(8-6-14)24-33-20(28)17-10-9-16(25(29)30)11-18(17)26(31)32/h1-11,24H