2-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-[2-(4-nitrophenyl)ethyl]-3-oxo-butanoic acid CAS Name: 2-[2-(4-nitrophenyl)ethyl]-3-oxobutanoic acid IUPAC Name: 2-[2-(4-nitrophenyl)ethyl]-3-oxobutanoic acid Traditional Name: 3-keto-2-[2-(4-nitrophenyl)ethyl]butyric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13NO5/c1-8(14)11(12(15)16)7-4-9-2-5-10(6-3-9)13(17)18/h2-3,5-6,11H,4,7H2,1H3,(H,15,16)