methyl 1-(4-iodanylbutyl)-2-(2-methoxy-2-oxidanylidene-ethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 1-(4-iodanylbutyl)-2-(2-methoxy-2-oxidanylidene-ethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-(4-iodobutyl)-2-(2-methoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 1-(4-iodobutyl)-2-(2-methoxy-2-oxoethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-iodobutyl)-2-(2-methoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 1-(4-iodobutyl)-2-(2-keto-2-methoxy-ethyl)pyrrole-3-carboxylic acid methyl ester Formula: C13H18INO4 MolecularWeight: 379.19079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=CN1CCCCI)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C=CN1CCCCI)C(=O)OC

InChI

InChI=1S/C13H18INO4/c1-18-12(16)9-11-10(13(17)19-2)5-8-15(11)7-4-3-6-14/h5,8H,3-4,6-7,9H2,1-2H3