dimethyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]-1H-pyrazole-4,5-dicarboxylate

Systemtic Name: dimethyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]-1H-pyrazole-4,5-dicarboxylate Openeye Name: dimethyl 3-[3-(1,3-dioxoisoindolin-2-yl)propanoyl]-1H-pyrazole-4,5-dicarboxylate CAS Name: 3-[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]-1H-pyrazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-1H-pyrazole-4,5-dicarboxylate Traditional Name: 3-(3-phthalimidopropanoyl)-1H-pyrazole-4,5-dicarboxylic acid dimethyl ester Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NN=C1C(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C18H15N3O7/c1-27-17(25)12-13(19-20-14(12)18(26)28-2)11(22)7-8-21-15(23)9-5-3-4-6-10(9)16(21)24/h3-6H,7-8H2,1-2H3,(H,19,20)