tert-butyl 1-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: tert-butyl 1-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: tert-butyl 1-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate CAS Name: 1-[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]-2-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]aziridine-2-carboxylate Traditional Name: 1-[4-keto-2-(trifluoromethyl)quinazolin-3-yl]ethylenimine-2-carboxylic acid tert-butyl ester Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN1N2C(=O)C3=CC=CC=C3N=C2C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1CN1N2C(=O)C3=CC=CC=C3N=C2C(F)(F)F

InChI

InChI=1S/C16H16F3N3O3/c1-15(2,3)25-13(24)11-8-21(11)22-12(23)9-6-4-5-7-10(9)20-14(22)16(17,18)19/h4-7,11H,8H2,1-3H3