2-[4-oxidanylidene-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-yl]acetic acid Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=NO3)C4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=NO3)C4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C18H13N5O4/c24-16(25)9-14-11-5-1-2-6-12(11)18(26)23(21-14)10-15-20-17(22-27-15)13-7-3-4-8-19-13/h1-8H,9-10H2,(H,24,25)