(phenylmethyl) 2-methyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-1-oxidanidyl-3,4-dihydropyrrol-1-ium-2-carboxylate Openeye Name: benzyl 2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate CAS Name: 2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-carboxylate Traditional Name: 2-methyl-1-oxido-1-pyrrolin-1-ium-2-carboxylic acid benzyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=[N+]1[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1(CCC=[N+]1[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO3/c1-13(8-5-9-14(13)16)12(15)17-10-11-6-3-2-4-7-11/h2-4,6-7,9H,5,8,10H2,1H3