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

Systemtic Name: 3-[[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(4-methylanilino)-3,5-dinitro-benzoyl]amino]benzoic acid CAS Name: 3-[[[4-(4-methylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-(4-methylanilino)-3,5-dinitrobenzoyl]amino]benzoic acid Traditional Name: 3-[[3,5-dinitro-4-(p-toluidino)benzoyl]amino]benzoic acid Formula: C21H16N4O7 MolecularWeight: 436.37434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O7/c1-12-5-7-15(8-6-12)22-19-17(24(29)30)10-14(11-18(19)25(31)32)20(26)23-16-4-2-3-13(9-16)21(27)28/h2-11,22H,1H3,(H,23,26)(H,27,28)