methyl (5S)-5-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-pentanoate

Systemtic Name: methyl (5S)-5-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-pentanoate Openeye Name: methyl (5S)-5-hydroxy-5-(4-nitrophenyl)-3-oxo-pentanoate CAS Name: (5S)-5-hydroxy-5-(4-nitrophenyl)-3-oxopentanoic acid methyl ester IUPAC Name: methyl (5S)-5-hydroxy-5-(4-nitrophenyl)-3-oxopentanoate Traditional Name: (5S)-5-hydroxy-3-keto-5-(4-nitrophenyl)valeric acid methyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CC(=O)C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H13NO6/c1-19-12(16)7-10(14)6-11(15)8-2-4-9(5-3-8)13(17)18/h2-5,11,15H,6-7H2,1H3/t11-/m0/s1