dimethyl 5-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

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