(5-bromanyl-2-methoxy-phenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (5-bromo-2-methoxy-benzyl) ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H15BrN2O4/c1-24-16-7-6-12(19)8-11(16)10-25-17(22)9-15-13-4-2-3-5-14(13)18(23)21-20-15/h2-8H,9-10H2,1H3,(H,21,23)