2-[4-oxidanylidene-3-(2-oxidanylideneethyl)phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-(2-oxidanylideneethyl)phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-(2-oxoethyl)phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-(2-oxoethyl)-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-(2-oxoethyl)phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-(2-ketoethyl)phthalazin-1-yl]acetic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC=O)CC(=O)O

InChI

InChI=1S/C12H10N2O4/c15-6-5-14-12(18)9-4-2-1-3-8(9)10(13-14)7-11(16)17/h1-4,6H,5,7H2,(H,16,17)