(phenylmethyl) (2S)-2-methyl-5-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-methyl-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: benzyl (2S)-2-methyl-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-2-methyl-5-oxo-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-methyl-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (5S)-2-keto-5-methyl-3-pyrroline-1-carboxylic acid benzyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=O)N1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1C=CC(=O)N1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H13NO3/c1-10-7-8-12(15)14(10)13(16)17-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/t10-/m0/s1