3-[3,4-bis(fluoranyl)phenyl]-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: 3-(3,4-difluorophenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylate Formula: C17H12F2NO3- MolecularWeight: 316.278886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)[O-])C3=CC(=C(C=C3)F)F

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)[O-])C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H13F2NO3/c1-20-15(9-6-7-12(18)13(19)8-9)14(17(22)23)10-4-2-3-5-11(10)16(20)21/h2-8,14-15H,1H3,(H,22,23)/p-1