methyl 3-(2,5-dimethylpyrrol-1-yl)-5-iodanyl-benzoate

Systemtic Name: methyl 3-(2,5-dimethylpyrrol-1-yl)-5-iodanyl-benzoate Openeye Name: methyl 3-(2,5-dimethylpyrrol-1-yl)-5-iodo-benzoate CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-5-iodobenzoic acid methyl ester IUPAC Name: methyl 3-(2,5-dimethylpyrrol-1-yl)-5-iodobenzoate Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-5-iodo-benzoic acid methyl ester Formula: C14H14INO2 MolecularWeight: 355.17093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC(=C2)C(=O)OC)I)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC(=C2)C(=O)OC)I)C

InChI

InChI=1S/C14H14INO2/c1-9-4-5-10(2)16(9)13-7-11(14(17)18-3)6-12(15)8-13/h4-8H,1-3H3