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

Systemtic Name: methyl 4-[[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H17N3O4/c1-26-19(25)13-8-6-12(7-9-13)11-20-17(23)10-16-14-4-2-3-5-15(14)18(24)22-21-16/h2-9H,10-11H2,1H3,(H,20,23)(H,22,24)