2-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloranyl-3-methyl-4-oxidanylidene-1H-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloranyl-3-methyl-4-oxidanylidene-1H-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-3-methyl-4-oxo-1H-phthalazin-1-yl]acetic acid CAS Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-3-methyl-4-oxo-1H-phthalazin-1-yl]acetic acid IUPAC Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-3-methyl-4-oxo-1H-phthalazin-1-yl]acetic acid Traditional Name: 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-4-keto-3-methyl-1H-phthalazin-1-yl]acetic acid Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)Cl)C(N1C3=CC4=C(C=C3)SN=N4)CC(=O)O

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)Cl)C(N1C3=CC4=C(C=C3)SN=N4)CC(=O)O

InChI

InChI=1S/C17H13ClN4O3S/c1-21-17(25)11-4-2-9(18)6-12(11)14(8-16(23)24)22(21)10-3-5-15-13(7-10)19-20-26-15/h2-7,14H,8H2,1H3,(H,23,24)