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

Systemtic Name: 2-[3-(4-methylphenyl)carbonyl-2-nitro-phenyl]propanedioic acid Openeye Name: 2-[3-(4-methylbenzoyl)-2-nitro-phenyl]propanedioic acid CAS Name: 2-[3-[(4-methylphenyl)-oxomethyl]-2-nitrophenyl]propanedioic acid IUPAC Name: 2-[3-(4-methylbenzoyl)-2-nitrophenyl]propanedioic acid Traditional Name: 2-(2-nitro-3-p-toluoyl-phenyl)malonic acid Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO7/c1-9-5-7-10(8-6-9)15(19)12-4-2-3-11(14(12)18(24)25)13(16(20)21)17(22)23/h2-8,13H,1H3,(H,20,21)(H,22,23)