ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H16F3N3O4 MolecularWeight: 419.35395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O4/c1-2-30-19(27)15-16(13-9-6-10-14(11-13)26(28)29)24-18(12-7-4-3-5-8-12)25-17(15)20(21,22)23/h3-11,16H,2H2,1H3,(H,24,25)