2-[(3-chlorophenyl)-(2,4-dinitrophenyl)carbonyl-carbamoyl]benzoic acid

Systemtic Name: 2-[(3-chlorophenyl)-(2,4-dinitrophenyl)carbonyl-carbamoyl]benzoic acid Openeye Name: 2-[(3-chlorophenyl)-(2,4-dinitrobenzoyl)carbamoyl]benzoic acid CAS Name: 2-[(3-chloro-N-[(2,4-dinitrophenyl)-oxomethyl]anilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(3-chlorophenyl)-(2,4-dinitrobenzoyl)carbamoyl]benzoic acid Traditional Name: 2-[(3-chlorophenyl)-(2,4-dinitrobenzoyl)carbamoyl]benzoic acid Formula: C21H12ClN3O8 MolecularWeight: 469.78828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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