N-[3-(methoxymethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(methoxymethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[3-(methoxymethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[3-(methoxymethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(methoxymethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[3-(methoxymethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N3O4/c1-31-13-14-3-2-4-17(11-14)25-20(28)15-7-9-26(10-8-15)18-6-5-16(21(22,23)24)12-19(18)27(29)30/h2-6,11-12,15H,7-10,13H2,1H3,(H,25,28)