[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C18H12FNO4 MolecularWeight: 325.290583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H12FNO4/c19-13-6-3-5-12(8-13)16(21)10-24-18(23)15-9-11-4-1-2-7-14(11)17(22)20-15/h1-9H,10H2,(H,20,22)