(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H13BrN2O5/c19-13-8-15-14(24-5-6-25-15)7-10(13)9-26-18(23)16-11-3-1-2-4-12(11)17(22)21-20-16/h1-4,7-8H,5-6,9H2,(H,21,22)