tert-butyl (1R)-1-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: tert-butyl (1R)-1-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: tert-butyl (1R)-1-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]-2-oxo-cyclopentanecarboxylate CAS Name: (1R)-1-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]-2-oxo-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-1-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]-2-oxocyclopentane-1-carboxylate Traditional Name: (1R)-2-keto-1-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]cyclopentanecarboxylic acid tert-butyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCC1=O)C(C[N+](=O)[O-])C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5/c1-19(2,3)26-18(23)20(13-7-10-17(20)22)16(14-21(24)25)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,16H,7,10,13-14H2,1-3H3/b12-11+/t16-,20-/m1/s1