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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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