ethyl 5-[(3-iodanylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(3-iodanylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(3-iodophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(3-iodoanilino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-iodophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3-iodophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H17IN2O3 MolecularWeight: 412.22225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC(=CC=C2)I)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC(=CC=C2)I)C

InChI

InChI=1S/C16H17IN2O3/c1-4-22-16(21)13-9(2)14(18-10(13)3)15(20)19-12-7-5-6-11(17)8-12/h5-8,18H,4H2,1-3H3,(H,19,20)