methyl (1S)-1-[(1S)-2-nitro-1-phenyl-ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl (1S)-1-[(1S)-2-nitro-1-phenyl-ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl (1S)-1-[(1S)-2-nitro-1-phenyl-ethyl]-2-oxo-cyclopentanecarboxylate CAS Name: (1S)-1-[(1S)-2-nitro-1-phenylethyl]-2-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-1-[(1S)-2-nitro-1-phenylethyl]-2-oxocyclopentane-1-carboxylate Traditional Name: (1S)-2-keto-1-[(1S)-2-nitro-1-phenyl-ethyl]cyclopentanecarboxylic acid methyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC1=O)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@]1(CCCC1=O)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H17NO5/c1-21-14(18)15(9-5-8-13(15)17)12(10-16(19)20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,15-/m0/s1