3-(2-chloranyl-4-fluoranyl-phenyl)-2-methyl-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-phenyl)-2-methyl-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 3-(2-chloro-4-fluoro-phenyl)-2-methyl-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 3-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 3-(2-chloro-4-fluorophenyl)-2-methyl-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-1-keto-2-methyl-isoquinoline-4-carboxylic acid Formula: C17H11ClFNO3 MolecularWeight: 331.725543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C(=O)O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C(=O)O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H11ClFNO3/c1-20-15(12-7-6-9(19)8-13(12)18)14(17(22)23)10-4-2-3-5-11(10)16(20)21/h2-8H,1H3,(H,22,23)