2-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: 2-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: 2-[3-(oxazolo[4,5-b]pyridin-2-ylmethyl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(2-oxazolo[4,5-b]pyridinylmethyl)-4-oxo-1-phthalazinyl]acetate IUPAC Name: 2-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-(oxazolo[4,5-b]pyridin-2-ylmethyl)phthalazin-1-yl]acetate Formula: C17H11N4O4- MolecularWeight: 335.29364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(O3)C=CC=N4)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(O3)C=CC=N4)CC(=O)[O-]

InChI

InChI=1S/C17H12N4O4/c22-15(23)8-12-10-4-1-2-5-11(10)17(24)21(20-12)9-14-19-16-13(25-14)6-3-7-18-16/h1-7H,8-9H2,(H,22,23)/p-1