3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

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