(4-bromanyl-2-fluoranyl-phenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H10BrFN2O3 MolecularWeight: 377.164603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrFN2O3/c17-10-6-5-9(13(18)7-10)8-23-16(22)14-11-3-1-2-4-12(11)15(21)20-19-14/h1-7H,8H2,(H,20,21)