(2-fluorophenyl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (2-fluorophenyl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (2-fluorophenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (2-fluorobenzyl) ester Formula: C17H12FNO3 MolecularWeight: 297.280483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=CC=CC=C3F

InChI

InChI=1S/C17H12FNO3/c18-14-8-4-2-6-12(14)10-22-17(21)15-9-11-5-1-3-7-13(11)16(20)19-15/h1-9H,10H2,(H,19,20)