(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl ester Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H17BrN2O6/c1-3-29-22(28)19-16(15-10-12(23)8-9-17(15)31-19)11-30-21(27)18-13-6-4-5-7-14(13)20(26)25(2)24-18/h4-10H,3,11H2,1-2H3