[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H16N4O4/c1-20(8-4-7-17)14(21)10-24-15(22)9-13-11-5-2-3-6-12(11)16(23)19-18-13/h2-3,5-6H,4,8-10H2,1H3,(H,19,23)