3-[(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(5-bromo-2-carbethoxy-benzofuran-3-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H15BrN2O6 MolecularWeight: 471.2576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H15BrN2O6/c1-2-29-21(28)18-15(14-9-11(22)7-8-16(14)30-18)10-24-19(25)13-6-4-3-5-12(13)17(23-24)20(26)27/h3-9H,2,10H2,1H3,(H,26,27)