2-[3-(4-methylphenyl)carbonyl-2-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)carbonyl-2-nitro-phenyl]ethanoic acid Openeye Name: 2-[3-(4-methylbenzoyl)-2-nitro-phenyl]acetic acid CAS Name: 2-[3-[(4-methylphenyl)-oxomethyl]-2-nitrophenyl]acetic acid IUPAC Name: 2-[3-(4-methylbenzoyl)-2-nitrophenyl]acetic acid Traditional Name: 2-(2-nitro-3-p-toluoyl-phenyl)acetic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5/c1-10-5-7-11(8-6-10)16(20)13-4-2-3-12(9-14(18)19)15(13)17(21)22/h2-8H,9H2,1H3,(H,18,19)