2-methyl-2-[2-nitro-3-(phenylcarbonyl)phenyl]propanedioic acid

Systemtic Name: 2-methyl-2-[2-nitro-3-(phenylcarbonyl)phenyl]propanedioic acid Openeye Name: 2-(3-benzoyl-2-nitro-phenyl)-2-methyl-propanedioic acid CAS Name: 2-(3-benzoyl-2-nitrophenyl)-2-methylpropanedioic acid IUPAC Name: 2-(3-benzoyl-2-nitrophenyl)-2-methylpropanedioic acid Traditional Name: 2-(3-benzoyl-2-nitro-phenyl)-2-methyl-malonic acid Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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