2-[3-(cyanomethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: 2-[3-(cyanomethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: 2-[3-(cyanomethyl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(cyanomethyl)-4-oxo-1-phthalazinyl]acetate IUPAC Name: 2-[3-(cyanomethyl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(cyanomethyl)-4-keto-phthalazin-1-yl]acetate Formula: C12H8N3O3- MolecularWeight: 242.21022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC#N)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC#N)CC(=O)[O-]

InChI

InChI=1S/C12H9N3O3/c13-5-6-15-12(18)9-4-2-1-3-8(9)10(14-15)7-11(16)17/h1-4H,6-7H2,(H,16,17)/p-1