3-[[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]benzoic acid CAS Name: 3-[[[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-(2,4-dimethylanilino)-3,5-dinitrobenzoyl]amino]benzoic acid Traditional Name: 3-[[4-(2,4-dimethylanilino)-3,5-dinitro-benzoyl]amino]benzoic acid Formula: C22H18N4O7 MolecularWeight: 450.40092

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-])C

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-])C

InChI

InChI=1S/C22H18N4O7/c1-12-6-7-17(13(2)8-12)24-20-18(25(30)31)10-15(11-19(20)26(32)33)21(27)23-16-5-3-4-14(9-16)22(28)29/h3-11,24H,1-2H3,(H,23,27)(H,28,29)