3-cyanopropyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: 3-cyanopropyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid 3-cyanopropyl ester Formula: C17H18F3N3O4 MolecularWeight: 385.33773

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC#N)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N3O4/c18-17(19,20)13-3-4-14(15(11-13)23(25)26)22-8-5-12(6-9-22)16(24)27-10-2-1-7-21/h3-4,11-12H,1-2,5-6,8-10H2