methyl 1-[1,3-bis(oxidanyl)propoxymethyl]-4-iodanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 1-[1,3-bis(oxidanyl)propoxymethyl]-4-iodanyl-pyrazole-3-carboxylate Openeye Name: methyl 1-(1,3-dihydroxypropoxymethyl)-4-iodo-pyrazole-3-carboxylate CAS Name: 1-(1,3-dihydroxypropoxymethyl)-4-iodo-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-dihydroxypropoxymethyl)-4-iodopyrazole-3-carboxylate Traditional Name: 1-(1,3-dihydroxypropoxymethyl)-4-iodo-pyrazole-3-carboxylic acid methyl ester Formula: C9H13IN2O5 MolecularWeight: 356.11439

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1I)COC(CCO)O

Isomeric SMILES

COC(=O)C1=NN(C=C1I)COC(CCO)O

InChI

InChI=1S/C9H13IN2O5/c1-16-9(15)8-6(10)4-12(11-8)5-17-7(14)2-3-13/h4,7,13-14H,2-3,5H2,1H3