(1-cyanoindolizin-2-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H14N4O4 MolecularWeight: 374.34956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H14N4O4/c21-9-16-13(10-23-8-4-3-7-17(16)23)12-28-18(25)11-24-20(27)15-6-2-1-5-14(15)19(26)22-24/h1-8,10H,11-12H2,(H,22,26)