3-(7,8-dimethoxy-1-oxidanylidene-phthalazin-2-yl)propanoic acid

Systemtic Name: 3-(7,8-dimethoxy-1-oxidanylidene-phthalazin-2-yl)propanoic acid Openeye Name: 3-(7,8-dimethoxy-1-oxo-phthalazin-2-yl)propanoic acid CAS Name: 3-(7,8-dimethoxy-1-oxo-2-phthalazinyl)propanoic acid IUPAC Name: 3-(7,8-dimethoxy-1-oxophthalazin-2-yl)propanoic acid Traditional Name: 3-(1-keto-7,8-dimethoxy-phthalazin-2-yl)propionic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC(=O)O)OC

InChI

InChI=1S/C13H14N2O5/c1-19-9-4-3-8-7-14-15(6-5-10(16)17)13(18)11(8)12(9)20-2/h3-4,7H,5-6H2,1-2H3,(H,16,17)