2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoic acid Openeye Name: 2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetic acid CAS Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]acetic acid IUPAC Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetic acid Traditional Name: 2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]acetic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)O)CC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)O)CC3=CC=NC=C3

InChI

InChI=1S/C16H13N3O3/c20-15(21)10-19-16(22)13-4-2-1-3-12(13)14(18-19)9-11-5-7-17-8-6-11/h1-8H,9-10H2,(H,20,21)