2-[(3,4-dimethylphenyl)carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(3,4-dimethylphenyl)carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[(3,4-dimethylphenyl)carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[(3,4-dimethylanilino)-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[(3,4-dimethylphenyl)carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[(3,4-dimethylphenyl)carbamoyl]-4-nitro-benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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