2-[(3-chlorophenyl)-(2-methylphenyl)carbonyl-carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(3-chlorophenyl)-(2-methylphenyl)carbonyl-carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(3-chlorophenyl)-(2-methylbenzoyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(3-chloro-N-[(2-methylphenyl)-oxomethyl]anilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(3-chlorophenyl)-(2-methylbenzoyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(3-chlorophenyl)-o-toluoyl-carbamoyl]-3-nitro-benzoic acid Formula: C22H15ClN2O6 MolecularWeight: 438.8173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(C2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(C2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H15ClN2O6/c1-13-6-2-3-9-16(13)20(26)24(15-8-4-7-14(23)12-15)21(27)19-17(22(28)29)10-5-11-18(19)25(30)31/h2-12H,1H3,(H,28,29)