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

Systemtic Name: dimethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]-1H-pyrazole-4,5-dicarboxylate Openeye Name: dimethyl 3-[2-(1,3-dioxoisoindolin-2-yl)acetyl]-1H-pyrazole-4,5-dicarboxylate CAS Name: 3-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]-1H-pyrazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1H-pyrazole-4,5-dicarboxylate Traditional Name: 3-(2-phthalimidoacetyl)-1H-pyrazole-4,5-dicarboxylic acid dimethyl ester Formula: C17H13N3O7 MolecularWeight: 371.30102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NN=C1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C17H13N3O7/c1-26-16(24)11-12(18-19-13(11)17(25)27-2)10(21)7-20-14(22)8-5-3-4-6-9(8)15(20)23/h3-6H,7H2,1-2H3,(H,18,19)