N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-o-tolylmethyleneamino]piperidine-4-carboxamide CAS Name: N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[(E)-(2-methylbenzylidene)amino]-1-(4-nitrobenzyl)isonipecotamide Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=O)C2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-16-4-2-3-5-19(16)14-22-23-21(26)18-10-12-24(13-11-18)15-17-6-8-20(9-7-17)25(27)28/h2-9,14,18H,10-13,15H2,1H3,(H,23,26)/b22-14+