methyl 3-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoyloxymethyl]benzoate Openeye Name: methyl 3-[[2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetyl]oxymethyl]benzoate CAS Name: 3-[[2-(4-carbamoyl-1-oxo-2-phthalazinyl)-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]oxymethyl]benzoate Traditional Name: 3-[[2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetyl]oxymethyl]benzoic acid methyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C20H17N3O6/c1-28-20(27)13-6-4-5-12(9-13)11-29-16(24)10-23-19(26)15-8-3-2-7-14(15)17(22-23)18(21)25/h2-9H,10-11H2,1H3,(H2,21,25)