[[4-[(4-bromophenyl)carbonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-[(4-bromophenyl)carbonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(4-bromobenzoyl)azoanilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(4-bromophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(4-bromobenzoyl)diazenyl]anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(4-bromobenzoyl)azoanilino] ester Formula: C20H12BrN5O7 MolecularWeight: 514.24258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN5O7/c21-14-3-1-12(2-4-14)19(27)23-22-15-5-7-16(8-6-15)24-33-20(28)13-9-17(25(29)30)11-18(10-13)26(31)32/h1-11,24H