6-chloranyl-4-(4-fluorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-(4-fluorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-4-(4-fluorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-4-(4-fluorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-4-(4-fluorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid Formula: C17H11ClFNO3 MolecularWeight: 331.725543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=C(C=C3)F)C(=O)O

InChI

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