methyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]picolinic acid methyl ester Formula: C19H17F3N4O5 MolecularWeight: 438.35729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O5/c1-31-18(28)14-4-2-3-13(23-14)17(27)25-9-7-24(8-10-25)15-6-5-12(19(20,21)22)11-16(15)26(29)30/h2-6,11H,7-10H2,1H3