methyl 4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H11F3N2O3 MolecularWeight: 348.27605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O3/c1-25-16(24)10-5-6-12-13(8-10)21-14(22-15(12)23)9-3-2-4-11(7-9)17(18,19)20/h2-8H,1H3,(H,21,22,23)