[[4-[(2,4-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate

Systemtic Name: [[4-[(2,4-dinitrophenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(2,4-dinitrobenzoyl)azoanilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(2,4-dinitrophenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(2,4-dinitrobenzoyl)diazenyl]anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(2,4-dinitrobenzoyl)azoanilino] ester Formula: C20H12N6O9 MolecularWeight: 480.34408

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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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H12N6O9/c27-19(17-9-8-16(25(31)32)11-18(17)26(33)34)22-21-13-4-6-14(7-5-13)23-35-20(28)12-2-1-3-15(10-12)24(29)30/h1-11,23H