ethyl 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C19H19F3N4O5 MolecularWeight: 440.37317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H19F3N4O5/c1-2-31-18(28)12-4-3-9-24(11-12)17(27)15-10-23-25(16(15)19(20,21)22)13-5-7-14(8-6-13)26(29)30/h5-8,10,12H,2-4,9,11H2,1H3