(phenylmethyl) 1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate

Systemtic Name: (phenylmethyl) 1-oxidanidyl-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate Openeye Name: benzyl 1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate CAS Name: 1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-oxido-3,4-dihydro-2H-pyrrol-1-ium-5-carboxylate Traditional Name: 1-oxido-1-pyrrolin-1-ium-2-carboxylic acid benzyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[N+](C1)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC(=[N+](C1)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H13NO3/c14-12(11-7-4-8-13(11)15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2