[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21)/N

InChI

InChI=1S/C16H14N4O4/c1-9(18)12(7-17)14(21)8-24-15(22)6-13-10-4-2-3-5-11(10)16(23)20-19-13/h2-5H,6,8,18H2,1H3,(H,20,23)/b12-9+