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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O5/c25-20(13-12-17-8-7-11-19(16-17)24(27)28)29-21(18-9-3-1-4-10-18)22(26)23-14-5-2-6-15-23/h1,3-4,7-13,16,21H,2,5-6,14-15H2/b13-12+/t21-/m1/s1