4-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3,5-dinitro-4-phenylazanyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[(4-anilino-3,5-dinitro-benzoyl)amino]benzoic acid CAS Name: 4-[[(4-anilino-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-anilino-3,5-dinitrobenzoyl)amino]benzoic acid Traditional Name: 4-[(4-anilino-3,5-dinitro-benzoyl)amino]benzoic acid Formula: C20H14N4O7 MolecularWeight: 422.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O7/c25-19(22-15-8-6-12(7-9-15)20(26)27)13-10-16(23(28)29)18(17(11-13)24(30)31)21-14-4-2-1-3-5-14/h1-11,21H,(H,22,25)(H,26,27)