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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C3=CC=CC=C3C2=O)C(=O)O

InChI

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