O1-tert-butyl O2,O4-diethyl 5-iodanyl-3-methyl-pyrrole-1,2,4-tricarboxylate

Systemtic Name: O1-tert-butyl O2,O4-diethyl 5-iodanyl-3-methyl-pyrrole-1,2,4-tricarboxylate Openeye Name: O1-tert-butyl O2,O4-diethyl 5-iodo-3-methyl-pyrrole-1,2,4-tricarboxylate CAS Name: 5-iodo-3-methylpyrrole-1,2,4-tricarboxylic acid O1-tert-butyl ester O2,O4-diethyl ester IUPAC Name: 1-O-tert-butyl 2-O,4-O-diethyl 5-iodo-3-methylpyrrole-1,2,4-tricarboxylate Traditional Name: 5-iodo-3-methyl-pyrrole-1,2,4-tricarboxylic acid O1-tert-butyl ester O2,O4-diethyl ester Formula: C16H22INO6 MolecularWeight: 451.25345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C(=O)OCC)C(=O)OC(C)(C)C)I

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C(=O)OCC)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C16H22INO6/c1-7-22-13(19)10-9(3)11(14(20)23-8-2)18(12(10)17)15(21)24-16(4,5)6/h7-8H2,1-6H3