2-[(3,5-dinitrophenyl)carbonyl-(4-methylphenyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonyl-(4-methylphenyl)carbamoyl]benzoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)-(p-tolyl)carbamoyl]benzoic acid CAS Name: 2-[(N-[(3,5-dinitrophenyl)-oxomethyl]-4-methylanilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)-(4-methylphenyl)carbamoyl]benzoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)-(p-tolyl)carbamoyl]benzoic acid Formula: C22H15N3O8 MolecularWeight: 449.3698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O8/c1-13-6-8-15(9-7-13)23(21(27)18-4-2-3-5-19(18)22(28)29)20(26)14-10-16(24(30)31)12-17(11-14)25(32)33/h2-12H,1H3,(H,28,29)