(E)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[(3R,5S)-3,5-dimethyl-1-piperidyl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[(3R,5S)-3,5-dimethylpiperidino]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-12-8-13(2)11-17(10-12)16(19)7-6-14-4-3-5-15(9-14)18(20)21/h3-7,9,12-13H,8,10-11H2,1-2H3/b7-6+/t12-,13+