ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H14F3N3O4 MolecularWeight: 417.33807

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(F)(F)F)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(F)(F)F)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H14F3N3O4/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/h3-11H,2H2,1H3