2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]benzoic acid Openeye Name: 2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]benzoic acid CAS Name: 2-[(2,4-dimethyl-6-nitroanilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(2,4-dimethyl-6-nitrophenyl)carbamoyl]benzoic acid Traditional Name: 2-[(2,4-dimethyl-6-nitro-phenyl)carbamoyl]benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c1-9-7-10(2)14(13(8-9)18(22)23)17-15(19)11-5-3-4-6-12(11)16(20)21/h3-8H,1-2H3,(H,17,19)(H,20,21)