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

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (2,3-difluorophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (2,3-difluorophenyl)methyl ester IUPAC Name: (2,3-difluorophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2,3-difluorobenzyl) ester Formula: C16H10F2N2O3 MolecularWeight: 316.259006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=C(C(=CC=C3)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C16H10F2N2O3/c17-12-7-3-4-9(13(12)18)8-23-16(22)14-10-5-1-2-6-11(10)15(21)20-19-14/h1-7H,8H2,(H,20,21)