diethyl 2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]propanedioate

Systemtic Name: diethyl 2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]propanedioate Openeye Name: diethyl 2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]propanedioate CAS Name: 2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]propanedioate Traditional Name: 2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]malonic acid diethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

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