methyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-(4-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C17H12FNO3 MolecularWeight: 297.280483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H12FNO3/c1-22-17(21)15-10-19(12-8-6-11(18)7-9-12)16(20)14-5-3-2-4-13(14)15/h2-10H,1H3