[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)OC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-13(17(21)18-11-3-2-4-12-18)24-16(20)10-7-14-5-8-15(9-6-14)19(22)23/h5-10,13H,2-4,11-12H2,1H3/b10-7+/t13-/m1/s1