methyl 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C17H11ClF3N3O3 MolecularWeight: 397.73575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3N3O3/c1-27-16(26)12-8-24(15(25)11-5-3-2-4-10(11)12)23-14-13(18)6-9(7-22-14)17(19,20)21/h2-8H,1H3,(H,22,23)