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

Systemtic Name: (2S)-2-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]cyclohexanone CAS Name: (2S)-2-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]cyclohexanone Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H19NO3/c18-16-9-5-4-8-15(16)14(12-17(19)20)11-10-13-6-2-1-3-7-13/h1-3,6-7,10-11,14-15H,4-5,8-9,12H2/b11-10+/t14-,15+/m1/s1