3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanylidene-phthalazin-2-yl]propanoic acid

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanylidene-phthalazin-2-yl]propanoic acid Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-phthalazin-2-yl]propanoic acid CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-2-phthalazinyl]propanoic acid IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxophthalazin-2-yl]propanoic acid Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-keto-phthalazin-2-yl]propionic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O

InChI

InChI=1S/C19H16N2O5/c22-17(23)7-8-21-19(24)14-4-2-1-3-13(14)18(20-21)12-5-6-15-16(11-12)26-10-9-25-15/h1-6,11H,7-10H2,(H,22,23)