[5-(cyanomethyl)-4-oxidanylidene-1H-phthalazin-1-yl] ethanoate

Systemtic Name: [5-(cyanomethyl)-4-oxidanylidene-1H-phthalazin-1-yl] ethanoate Openeye Name: [5-(cyanomethyl)-4-oxo-1H-phthalazin-1-yl] acetate CAS Name: acetic acid [5-(cyanomethyl)-4-oxo-1H-phthalazin-1-yl] ester IUPAC Name: [5-(cyanomethyl)-4-oxo-1H-phthalazin-1-yl] acetate Traditional Name: acetic acid [5-(cyanomethyl)-4-keto-1H-phthalazin-1-yl] ester Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=C(C(=CC=C2)CC#N)C(=O)N=N1

Isomeric SMILES

CC(=O)OC1C2=C(C(=CC=C2)CC#N)C(=O)N=N1

InChI

InChI=1S/C12H9N3O3/c1-7(16)18-12-9-4-2-3-8(5-6-13)10(9)11(17)14-15-12/h2-4,12H,5H2,1H3