N-(2-methyl-5-nitro-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-16-7-9-19(25(28)29)15-20(16)23-22(27)18-11-13-24(14-12-18)21(26)10-8-17-5-3-2-4-6-17/h2-10,15,18H,11-14H2,1H3,(H,23,27)/b10-8+