2-[(2-chlorophenyl)-(3,5-dinitrophenyl)carbonyl-carbamoyl]benzoic acid

Systemtic Name: 2-[(2-chlorophenyl)-(3,5-dinitrophenyl)carbonyl-carbamoyl]benzoic acid Openeye Name: 2-[(2-chlorophenyl)-(3,5-dinitrobenzoyl)carbamoyl]benzoic acid CAS Name: 2-[(2-chloro-N-[(3,5-dinitrophenyl)-oxomethyl]anilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(2-chlorophenyl)-(3,5-dinitrobenzoyl)carbamoyl]benzoic acid Traditional Name: 2-[(2-chlorophenyl)-(3,5-dinitrobenzoyl)carbamoyl]benzoic acid Formula: C21H12ClN3O8 MolecularWeight: 469.78828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=CC=CC=C2Cl)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=CC=CC=C2Cl)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H12ClN3O8/c22-17-7-3-4-8-18(17)23(20(27)15-5-1-2-6-16(15)21(28)29)19(26)12-9-13(24(30)31)11-14(10-12)25(32)33/h1-11H,(H,28,29)