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

Systemtic Name: dimethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 2-(1,3-dioxoisoindolin-2-yl)-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-5-phenylpyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1,3-dioxoisoindol-2-yl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 5-phenyl-2-phthalimido-pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=C1C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OC

InChI

InChI=1S/C21H15N3O6/c1-29-20(27)15-16(12-8-4-3-5-9-12)22-24(17(15)21(28)30-2)23-18(25)13-10-6-7-11-14(13)19(23)26/h3-11H,1-2H3