ethyl 1-[3-(2H-benzotriazol-5-ylcarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-(2H-benzotriazol-5-ylcarbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-(2H-benzotriazole-5-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[[2H-benzotriazol-5-yl(oxo)methyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2H-benzotriazole-5-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-(2H-benzotriazole-5-carbonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H15F3N6O3 MolecularWeight: 444.36671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC4=NNN=C4C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC4=NNN=C4C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N6O3/c1-2-32-19(31)14-10-24-29(17(14)20(21,22)23)13-5-3-4-12(9-13)25-18(30)11-6-7-15-16(8-11)27-28-26-15/h3-10H,2H2,1H3,(H,25,30)(H,26,27,28)