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

Systemtic Name: 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]-3-nitro-benzoic acid Openeye Name: 3-nitro-2-[[3-(o-tolylcarbamoyl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[(2-methylanilino)-oxomethyl]anilino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[3-[(2-methylphenyl)carbamoyl]phenyl]carbamoyl]-3-nitrobenzoic acid Traditional Name: 3-nitro-2-[[3-(o-tolylcarbamoyl)phenyl]carbamoyl]benzoic acid Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H17N3O6/c1-13-6-2-3-10-17(13)24-20(26)14-7-4-8-15(12-14)23-21(27)19-16(22(28)29)9-5-11-18(19)25(30)31/h2-12H,1H3,(H,23,27)(H,24,26)(H,28,29)