methyl 2-[[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H11ClF3N3O4 MolecularWeight: 413.73515

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3C=C(C=C(C3=O)Cl)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN3C=C(C=C(C3=O)Cl)C(F)(F)F

InChI

InChI=1S/C17H11ClF3N3O4/c1-28-16(27)8-2-3-10-12(4-8)22-13(23-14(10)25)7-24-6-9(17(19,20)21)5-11(18)15(24)26/h2-6H,7H2,1H3,(H,22,23,25)