ethyl 1-[(1S)-1-naphthalen-2-yl-2-nitro-ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[(1S)-1-naphthalen-2-yl-2-nitro-ethyl]-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: ethyl 1-[(1S)-1-(2-naphthyl)-2-nitro-ethyl]-2-oxo-cyclopentanecarboxylate CAS Name: 1-[(1S)-1-(2-naphthalenyl)-2-nitroethyl]-2-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1S)-1-naphthalen-2-yl-2-nitroethyl]-2-oxocyclopentane-1-carboxylate Traditional Name: 2-keto-1-[(1S)-1-(2-naphthyl)-2-nitro-ethyl]cyclopentanecarboxylic acid ethyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1=O)C(C[N+](=O)[O-])C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1(CCCC1=O)[C@@H](C[N+](=O)[O-])C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21NO5/c1-2-26-19(23)20(11-5-8-18(20)22)17(13-21(24)25)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12,17H,2,5,8,11,13H2,1H3/t17-,20?/m0/s1