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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic 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 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H15BrN2O5/c20-14-8-17-16(25-5-6-26-17)7-11(14)10-27-18(23)9-15-12-3-1-2-4-13(12)19(24)22-21-15/h1-4,7-8H,5-6,9-10H2,(H,22,24)