(phenylmethyl) 5-methyl-4-oxidanyl-2-oxidanylidene-3H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanyl-2-oxidanylidene-3H-pyrrole-1-carboxylate Openeye Name: benzyl 4-hydroxy-5-methyl-2-oxo-3H-pyrrole-1-carboxylate CAS Name: 4-hydroxy-5-methyl-2-oxo-3H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hydroxy-5-methyl-2-oxo-3H-pyrrole-1-carboxylate Traditional Name: 3-hydroxy-5-keto-2-methyl-2-pyrroline-1-carboxylic acid benzyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=O)N1C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC1=C(CC(=O)N1C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C13H13NO4/c1-9-11(15)7-12(16)14(9)13(17)18-8-10-5-3-2-4-6-10/h2-6,15H,7-8H2,1H3