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

Systemtic Name: methyl 2-[3-(cyanomethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[3-(cyanomethyl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(cyanomethyl)-4-oxo-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(cyanomethyl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(cyanomethyl)-4-keto-phthalazin-1-yl]acetic acid methyl ester Formula: C13H11N3O3 MolecularWeight: 257.24474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC#N

Isomeric SMILES

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC#N

InChI

InChI=1S/C13H11N3O3/c1-19-12(17)8-11-9-4-2-3-5-10(9)13(18)16(15-11)7-6-14/h2-5H,7-8H2,1H3