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

Systemtic Name: 4-[[4-[(2-chlorophenyl)amino]-3,5-dinitro-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]benzoic acid CAS Name: 4-[[[4-(2-chloroanilino)-3,5-dinitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(2-chloroanilino)-3,5-dinitrobenzoyl]amino]benzoic acid Traditional Name: 4-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]benzoic acid Formula: C20H13ClN4O7 MolecularWeight: 456.79282

Click to see the large picture

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-])Cl

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-])Cl

InChI

InChI=1S/C20H13ClN4O7/c21-14-3-1-2-4-15(14)23-18-16(24(29)30)9-12(10-17(18)25(31)32)19(26)22-13-7-5-11(6-8-13)20(27)28/h1-10,23H,(H,22,26)(H,27,28)