methyl (2S)-2-(4-nitrophenyl)-2-oxidanyl-4-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-(4-nitrophenyl)-2-oxidanyl-4-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-hydroxy-2-(4-nitrophenyl)-4-oxo-pentanoate CAS Name: (2S)-2-hydroxy-2-(4-nitrophenyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-2-(4-nitrophenyl)-4-oxopentanoate Traditional Name: (2S)-2-hydroxy-4-keto-2-(4-nitrophenyl)valeric acid methyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-8(14)7-12(16,11(15)19-2)9-3-5-10(6-4-9)13(17)18/h3-6,16H,7H2,1-2H3/t12-/m0/s1