dimethyl 5-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H19N3O6 MolecularWeight: 457.43486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H19N3O6/c1-33-24(31)15-12-16(25(32)34-2)14-17(13-15)26-22(29)21-19-10-6-7-11-20(19)23(30)28(27-21)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,26,29)