methyl 1-oxidanylidene-3-(trifluoromethyl)-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-3-(trifluoromethyl)-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate Openeye Name: methyl 1-oxo-3-(trifluoromethyl)-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate CAS Name: 1-oxo-3-(trifluoromethyl)-2H-pyrimido[1,6-a]benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 1-oxo-3-(trifluoromethyl)-2H-pyrimido[1,6-a]benzimidazole-4-carboxylate Traditional Name: 1-keto-3-(trifluoromethyl)-2H-pyrimido[1,6-a]benzimidazole-4-carboxylic acid methyl ester Formula: C13H8F3N3O3 MolecularWeight: 311.21613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)N2C1=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(NC(=O)N2C1=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C13H8F3N3O3/c1-22-11(20)8-9(13(14,15)16)18-12(21)19-7-5-3-2-4-6(7)17-10(8)19/h2-5H,1H3,(H,18,21)