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

Systemtic Name: 2-[3-[1,2,4-oxadiazol-5-yl(pyridin-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[1,2,4-oxadiazol-5-yl(2-pyridyl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[1,2,4-oxadiazol-5-yl(2-pyridinyl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[1,2,4-oxadiazol-5-yl(pyridin-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[1,2,4-oxadiazol-5-yl(2-pyridyl)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)C(C3=CC=CC=N3)C4=NC=NO4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C(C3=CC=CC=N3)C4=NC=NO4)CC(=O)O

InChI

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