tert-butyl 4-[(2-iodanylphenyl)-methoxycarbonyl-carbamoyl]-2,3-dihydropyrrole-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-iodanylphenyl)-methoxycarbonyl-carbamoyl]-2,3-dihydropyrrole-1-carboxylate Openeye Name: tert-butyl 4-[(2-iodophenyl)-methoxycarbonyl-carbamoyl]-2,3-dihydropyrrole-1-carboxylate CAS Name: 4-[(2-iodo-N-methoxycarbonylanilino)-oxomethyl]-2,3-dihydropyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-iodophenyl)-methoxycarbonylcarbamoyl]-2,3-dihydropyrrole-1-carboxylate Traditional Name: 3-[carbomethoxy-(2-iodophenyl)carbamoyl]-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C18H21IN2O5 MolecularWeight: 472.27421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C1)C(=O)N(C2=CC=CC=C2I)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C1)C(=O)N(C2=CC=CC=C2I)C(=O)OC

InChI

InChI=1S/C18H21IN2O5/c1-18(2,3)26-16(23)20-10-9-12(11-20)15(22)21(17(24)25-4)14-8-6-5-7-13(14)19/h5-8,11H,9-10H2,1-4H3