[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c23-18(12-10-16-9-11-17(27-16)22(25)26)28-19(15-7-3-1-4-8-15)20(24)21-13-5-2-6-14-21/h1,3-4,7-12,19H,2,5-6,13-14H2/b12-10+/t19-/m0/s1