diethyl 5-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C22H21N3O6/c1-3-30-21(28)13-9-14(22(29)31-4-2)11-15(10-13)23-19(26)12-18-16-7-5-6-8-17(16)20(27)25-24-18/h5-11H,3-4,12H2,1-2H3,(H,23,26)(H,25,27)