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

Systemtic Name: (3R)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitro-but-3-en-2-yl]-1-methyl-piperidin-4-one Openeye Name: (3R)-3-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]-1-methyl-piperidin-4-one CAS Name: (3R)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]-1-methyl-4-piperidinone IUPAC Name: (3R)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]-1-methylpiperidin-4-one Traditional Name: (3R)-3-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]-1-methyl-4-piperidone Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-18-10-9-17(20)16(12-18)14(11-19(21)22)6-3-13-4-7-15(23-2)8-5-13/h3-8,14,16H,9-12H2,1-2H3/b6-3+/t14-,16+/m1/s1