2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pentanedioic acid

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]pentanedioic acid Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]pentanedioic acid CAS Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]pentanedioic acid IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]pentanedioic acid Traditional Name: 2-[2-keto-2-(4-nitrophenyl)ethyl]glutaric acid Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(CCC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(CCC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO7/c15-11(7-9(13(18)19)3-6-12(16)17)8-1-4-10(5-2-8)14(20)21/h1-2,4-5,9H,3,6-7H2,(H,16,17)(H,18,19)