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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CC(=O)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(CC(=O)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO7/c15-11(13(18)19)7-9(12(16)17)4-1-8-2-5-10(6-3-8)14(20)21/h2-3,5-6,9H,1,4,7H2,(H,16,17)(H,18,19)