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

Systemtic Name: (3R)-3-[(E,2S)-4-(4-chlorophenyl)-1-nitro-but-3-en-2-yl]-1-methyl-piperidin-4-one Openeye Name: (3R)-3-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]-1-methyl-piperidin-4-one CAS Name: (3R)-3-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]-1-methyl-4-piperidinone IUPAC Name: (3R)-3-[(E,2S)-4-(4-chlorophenyl)-1-nitrobut-3-en-2-yl]-1-methylpiperidin-4-one Traditional Name: (3R)-3-[(E,1S)-3-(4-chlorophenyl)-1-(nitromethyl)allyl]-1-methyl-4-piperidone Formula: C16H19ClN2O3 MolecularWeight: 322.78666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3/c1-18-9-8-16(20)15(11-18)13(10-19(21)22)5-2-12-3-6-14(17)7-4-12/h2-7,13,15H,8-11H2,1H3/b5-2+/t13-,15+/m1/s1