(phenylmethyl) 2-[4-(dioxidanyl)-5-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-(dioxidanyl)-5-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]pyrrole-1-carboxylate Openeye Name: benzyl 2-[4-hydroperoxy-5-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]pyrrole-1-carboxylate CAS Name: 2-[4-hydroperoxy-5-(hydroxymethyl)-1-cyclohexa-1,5-dienyl]-1-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-hydroperoxy-5-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]pyrrole-1-carboxylate Traditional Name: 2-(4-hydroperoxy-5-methylol-cyclohexa-1,5-dien-1-yl)pyrrole-1-carboxylic acid benzyl ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1OO)CO)C2=CC=CN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C=C(C=C(C1OO)CO)C2=CC=CN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19NO5/c21-12-16-11-15(8-9-18(16)25-23)17-7-4-10-20(17)19(22)24-13-14-5-2-1-3-6-14/h1-8,10-11,18,21,23H,9,12-13H2