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

Systemtic Name: methyl 3-[2-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetyl]oxyacetyl]amino]benzoate CAS Name: 3-[[2-[2-(4-carbamoyl-1-oxo-2-phthalazinyl)-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]oxyacetyl]amino]benzoate Traditional Name: 3-[[2-[2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O7/c1-31-21(30)12-5-4-6-13(9-12)23-16(26)11-32-17(27)10-25-20(29)15-8-3-2-7-14(15)18(24-25)19(22)28/h2-9H,10-11H2,1H3,(H2,22,28)(H,23,26)