methyl 1-(3-iodanylpropyl)-2-(2-methoxy-2-oxidanylidene-ethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 1-(3-iodanylpropyl)-2-(2-methoxy-2-oxidanylidene-ethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-(3-iodopropyl)-2-(2-methoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 1-(3-iodopropyl)-2-(2-methoxy-2-oxoethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-iodopropyl)-2-(2-methoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 1-(3-iodopropyl)-2-(2-keto-2-methoxy-ethyl)pyrrole-3-carboxylic acid methyl ester Formula: C12H16INO4 MolecularWeight: 365.16421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=CN1CCCI)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C=CN1CCCI)C(=O)OC

InChI

InChI=1S/C12H16INO4/c1-17-11(15)8-10-9(12(16)18-2)4-7-14(10)6-3-5-13/h4,7H,3,5-6,8H2,1-2H3