O1-tert-butyl O2-ethyl (2R)-2-cyano-4-iodanyl-5-oxidanylidene-pyrrole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2R)-2-cyano-4-iodanyl-5-oxidanylidene-pyrrole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2R)-2-cyano-4-iodo-5-oxo-pyrrole-1,2-dicarboxylate CAS Name: (2R)-2-cyano-4-iodo-5-oxopyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2R)-2-cyano-4-iodo-5-oxopyrrole-1,2-dicarboxylate Traditional Name: (2R)-2-cyano-4-iodo-5-keto-3-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C13H15IN2O5 MolecularWeight: 406.17307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C=C(C(=O)N1C(=O)OC(C)(C)C)I)C#N

Isomeric SMILES

CCOC(=O)[C@@]1(C=C(C(=O)N1C(=O)OC(C)(C)C)I)C#N

InChI

InChI=1S/C13H15IN2O5/c1-5-20-10(18)13(7-15)6-8(14)9(17)16(13)11(19)21-12(2,3)4/h6H,5H2,1-4H3/t13-/m1/s1