3-(2-chloranyl-4-fluoranyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-phenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 3-(2-chloro-4-fluoro-phenyl)-6,7-dimethoxy-2-methyl-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 3-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 3-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-1-keto-6,7-dimethoxy-2-methyl-isoquinoline-4-carboxylic acid Formula: C19H15ClFNO5 MolecularWeight: 391.777503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClFNO5/c1-22-17(10-5-4-9(21)6-13(10)20)16(19(24)25)11-7-14(26-2)15(27-3)8-12(11)18(22)23/h4-8H,1-3H3,(H,24,25)