ethyl 4-[(4-nitrophenyl)methyl]-7-oxidanylidene-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(4-nitrophenyl)methyl]-7-oxidanylidene-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(4-nitrophenyl)methyl]-7-oxo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 4-[(4-nitrophenyl)methyl]-7-oxo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-nitrophenyl)methyl]-7-oxo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-4-(4-nitrobenzyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H12F3N5O5 MolecularWeight: 411.29219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=NC(=NN2C1=O)C(F)(F)F)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN(C2=NC(=NN2C1=O)C(F)(F)F)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N5O5/c1-2-29-13(26)11-8-22(7-9-3-5-10(6-4-9)24(27)28)15-20-14(16(17,18)19)21-23(15)12(11)25/h3-6,8H,2,7H2,1H3