methyl 4-chloranyl-1-[2,3,3-tris(iodanyl)prop-2-enyl]pyrrole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-1-[2,3,3-tris(iodanyl)prop-2-enyl]pyrrole-2-carboxylate Openeye Name: methyl 4-chloro-1-(2,3,3-triiodoallyl)pyrrole-2-carboxylate CAS Name: 4-chloro-1-(2,3,3-triiodoprop-2-enyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-1-(2,3,3-triiodoprop-2-enyl)pyrrole-2-carboxylate Traditional Name: 4-chloro-1-(2,3,3-triiodoallyl)pyrrole-2-carboxylic acid methyl ester Formula: C9H7ClI3NO2 MolecularWeight: 577.32379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1CC(=C(I)I)I)Cl

Isomeric SMILES

COC(=O)C1=CC(=CN1CC(=C(I)I)I)Cl

InChI

InChI=1S/C9H7ClI3NO2/c1-16-9(15)7-2-5(10)3-14(7)4-6(11)8(12)13/h2-3H,4H2,1H3