methyl (2R,3S)-1-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate

Systemtic Name: methyl (2R,3S)-1-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate Openeye Name: methyl (2R,3S)-1-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-aziridine-2-carboxylate CAS Name: (2R,3S)-1-[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]-3-phenyl-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S)-1-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-3-phenylaziridine-2-carboxylate Traditional Name: (2R,3S)-1-[4-keto-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-ethylenimine-2-carboxylic acid methyl ester Formula: C19H14F3N3O3 MolecularWeight: 389.32797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N1N2C(=O)C3=CC=CC=C3N=C2C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1[C@@H](N1N2C(=O)C3=CC=CC=C3N=C2C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C19H14F3N3O3/c1-28-17(27)15-14(11-7-3-2-4-8-11)24(15)25-16(26)12-9-5-6-10-13(12)23-18(25)19(20,21)22/h2-10,14-15H,1H3/t14-,15+,24?/m0/s1