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

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxo-4-isoquinolinecarboxylate IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-1-keto-isoquinoline-4-carboxylate Formula: C17H10ClF3N3O3- MolecularWeight: 396.72781

Click to see the large picture

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)/p-1