methyl 4-(2-iodanyl-3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(2-iodanyl-3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(2-iodo-3-methoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-iodo-3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-iodo-3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-iodo-3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C12H16INO4 MolecularWeight: 365.16421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC(C(=O)OC)I)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1CC(C(=O)OC)I)C)C(=O)OC

InChI

InChI=1S/C12H16INO4/c1-6-8(5-9(13)11(15)17-3)7(2)14-10(6)12(16)18-4/h9,14H,5H2,1-4H3