(1-cyanoindolizin-2-yl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H15N5O4 MolecularWeight: 401.3749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O4/c22-9-16-13(10-25-8-4-3-7-17(16)25)12-30-18(27)11-26-21(29)15-6-2-1-5-14(15)19(24-26)20(23)28/h1-8,10H,11-12H2,(H2,23,28)