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

Systemtic Name: dimethyl 5-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H19N3O6/c1-4-24-19(26)16-8-6-5-7-15(16)17(23-24)18(25)22-14-10-12(20(27)29-2)9-13(11-14)21(28)30-3/h5-11H,4H2,1-3H3,(H,22,25)