O4-ethyl O2-(phenylmethyl) 5-iodanyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(phenylmethyl) 5-iodanyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-benzyl O4-ethyl 5-iodo-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-iodo-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-ethyl 5-iodo-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-iodo-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-benzyl ester O4-ethyl ester Formula: C16H16INO4 MolecularWeight: 413.20701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)I

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)I

InChI

InChI=1S/C16H16INO4/c1-3-21-15(19)12-10(2)13(18-14(12)17)16(20)22-9-11-7-5-4-6-8-11/h4-8,18H,3,9H2,1-2H3