2-methylpropyl 6-methyl-3-nitro-2-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-methyl-3-nitro-2-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C17H18F3N3O5 MolecularWeight: 401.33713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(N(C(=O)N1)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OCC(C)C

InChI

InChI=1S/C17H18F3N3O5/c1-9(2)8-28-15(24)13-10(3)21-16(25)22(23(26)27)14(13)11-6-4-5-7-12(11)17(18,19)20/h4-7,9,14H,8H2,1-3H3,(H,21,25)