ethyl 1-butyl-2,4-bis(oxidanylidene)-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-butyl-2,4-bis(oxidanylidene)-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate Openeye Name: ethyl 1-butyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate CAS Name: 1-butyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate Traditional Name: 1-butyl-2,4-diketo-3-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19F3N2O4 MolecularWeight: 384.34967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCCN1C=C(C(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C18H19F3N2O4/c1-3-5-9-22-11-14(16(25)27-4-2)15(24)23(17(22)26)13-8-6-7-12(10-13)18(19,20)21/h6-8,10-11H,3-5,9H2,1-2H3