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

Systemtic Name: (3R)-1-methyl-3-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]piperidin-4-one Openeye Name: (3R)-1-methyl-3-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]piperidin-4-one CAS Name: (3R)-1-methyl-3-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]-4-piperidinone IUPAC Name: (3R)-1-methyl-3-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]piperidin-4-one Traditional Name: (3R)-1-methyl-3-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]-4-piperidone Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=O)C(C1)C(C[N+](=O)[O-])C=CC2=CC=CC=C2

Isomeric SMILES

CN1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3/c1-17-10-9-16(19)15(12-17)14(11-18(20)21)8-7-13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/b8-7+/t14-,15+/m1/s1