(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H19BrN2O5 MolecularWeight: 507.33276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H19BrN2O5/c1-28-23(29)20-10-6-5-9-19(20)21(27-28)24(30)31-13-16-11-18(26)12-17-14-32-25(33-22(16)17)15-7-3-2-4-8-15/h2-12,25H,13-14H2,1H3