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

Systemtic Name: (E)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[(3S,5R)-3,5-dimethylpiperidino]-3-(2-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/c1-12-9-13(2)11-17(10-12)16(19)8-7-14-5-3-4-6-15(14)18(20)21/h3-8,12-13H,9-11H2,1-2H3/b8-7+/t12-,13+