methyl 4-iodanyl-5-(4-methylpent-3-enyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-iodanyl-5-(4-methylpent-3-enyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-iodo-5-(4-methylpent-3-enyl)-1H-pyrrole-2-carboxylate CAS Name: 4-iodo-5-(4-methylpent-3-enyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-iodo-5-(4-methylpent-3-enyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-iodo-5-(4-methylpent-3-enyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C12H16INO2 MolecularWeight: 333.16541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1=C(C=C(N1)C(=O)OC)I)C

Isomeric SMILES

CC(=CCCC1=C(C=C(N1)C(=O)OC)I)C

InChI

InChI=1S/C12H16INO2/c1-8(2)5-4-6-10-9(13)7-11(14-10)12(15)16-3/h5,7,14H,4,6H2,1-3H3