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

Systemtic Name: propan-2-yl 6-methyl-3-nitro-2-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H16F3N3O5 MolecularWeight: 387.31055

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3O5/c1-8(2)27-14(23)12-9(3)20-15(24)21(22(25)26)13(12)10-6-4-5-7-11(10)16(17,18)19/h4-8,13H,1-3H3,(H,20,24)