methyl 1-[5-methyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: methyl 1-[5-methyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: methyl 1-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate CAS Name: 1-[5-methyl-4-oxo-2-(trifluoromethyl)-3-quinazolinyl]-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate Traditional Name: 1-[4-keto-5-methyl-2-(trifluoromethyl)quinazolin-3-yl]ethylenimine-2-carboxylic acid methyl ester Formula: C14H12F3N3O3 MolecularWeight: 327.25859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)N3CC3C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)N3CC3C(=O)OC)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O3/c1-7-4-3-5-8-10(7)11(21)20(13(18-8)14(15,16)17)19-6-9(19)12(22)23-2/h3-5,9H,6H2,1-2H3