2-methylpropyl 3-iodanyl-1-propanoyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate

Systemtic Name: 2-methylpropyl 3-iodanyl-1-propanoyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate Openeye Name: isobutyl 3-iodo-1-propanoyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate CAS Name: 3-iodo-1-(1-oxopropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-iodo-1-propanoyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate Traditional Name: 3-iodo-1-propionyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid isobutyl ester Formula: C13H18IN3O3 MolecularWeight: 391.20479

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=C(CN(C2)C(=O)OCC(C)C)C(=N1)I

Isomeric SMILES

CCC(=O)N1C2=C(CN(C2)C(=O)OCC(C)C)C(=N1)I

InChI

InChI=1S/C13H18IN3O3/c1-4-11(18)17-10-6-16(5-9(10)12(14)15-17)13(19)20-7-8(2)3/h8H,4-7H2,1-3H3