N-[2-(2-methylpropanoylamino)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C19H25F3N4O4 MolecularWeight: 430.42141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H25F3N4O4/c1-12(2)17(27)23-7-8-24-18(28)13-5-9-25(10-6-13)15-4-3-14(19(20,21)22)11-16(15)26(29)30/h3-4,11-13H,5-10H2,1-2H3,(H,23,27)(H,24,28)