methyl 1-[(E)-3-(3-nitrophenyl)-2-phenyl-prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-(3-nitrophenyl)-2-phenyl-prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(3-nitrophenyl)-2-phenyl-prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(3-nitrophenyl)-1-oxo-2-phenylprop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(3-nitrophenyl)-2-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(3-nitrophenyl)-2-phenyl-acryloyl]isonipecotic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-29-22(26)18-10-12-23(13-11-18)21(25)20(17-7-3-2-4-8-17)15-16-6-5-9-19(14-16)24(27)28/h2-9,14-15,18H,10-13H2,1H3/b20-15+