(2S,4S)-4-tert-butyl-2-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]cyclohexan-1-one

Systemtic Name: (2S,4S)-4-tert-butyl-2-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]cyclohexan-1-one Openeye Name: (2S,4S)-4-tert-butyl-2-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]cyclohexanone CAS Name: (2S,4S)-4-tert-butyl-2-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]-1-cyclohexanone IUPAC Name: (2S,4S)-4-tert-butyl-2-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]cyclohexan-1-one Traditional Name: (2S,4S)-4-tert-butyl-2-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]cyclohexanone Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)C(C1)C(C[N+](=O)[O-])C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@H]1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H27NO3/c1-20(2,3)17-11-12-19(22)18(13-17)16(14-21(23)24)10-9-15-7-5-4-6-8-15/h4-10,16-18H,11-14H2,1-3H3/b10-9+/t16-,17+,18+/m1/s1