2-[2-(1,2,3-benzothiadiazol-5-yl)-7-bromanyl-4-oxidanylidene-1,3-dihydrophthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-bromanyl-4-oxidanylidene-1,3-dihydrophthalazin-1-yl]ethanoic acid Openeye Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-bromo-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid CAS Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-bromo-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid IUPAC Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-bromo-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid Traditional Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-bromo-4-keto-1,3-dihydrophthalazin-1-yl]acetic acid Formula: C16H11BrN4O3S MolecularWeight: 419.25254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N3C(C4=C(C=CC(=C4)Br)C(=O)N3)CC(=O)O)N=NS2

Isomeric SMILES

C1=CC2=C(C=C1N3C(C4=C(C=CC(=C4)Br)C(=O)N3)CC(=O)O)N=NS2

InChI

InChI=1S/C16H11BrN4O3S/c17-8-1-3-10-11(5-8)13(7-15(22)23)21(19-16(10)24)9-2-4-14-12(6-9)18-20-25-14/h1-6,13H,7H2,(H,19,24)(H,22,23)