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

Systemtic Name: ethyl 5-[[(3-iodanylphenyl)carbonylamino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(3-iodobenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[(3-iodophenyl)-oxomethyl]hydrazo]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3-iodobenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(3-iodobenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H18IN3O4 MolecularWeight: 455.24699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18IN3O4/c1-4-25-17(24)13-9(2)14(19-10(13)3)16(23)21-20-15(22)11-6-5-7-12(18)8-11/h5-8,19H,4H2,1-3H3,(H,20,22)(H,21,23)