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

Systemtic Name: (phenylmethyl) 4-ethanoyl-5-oxidanyl-3-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: benzyl 4-acetyl-5-hydroxy-3-oxo-2H-pyrrole-1-carboxylate CAS Name: 4-acetyl-5-hydroxy-3-oxo-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetyl-5-hydroxy-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: 3-acetyl-2-hydroxy-4-keto-2-pyrroline-1-carboxylic acid benzyl ester Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(CC1=O)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C1=C(N(CC1=O)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C14H13NO5/c1-9(16)12-11(17)7-15(13(12)18)14(19)20-8-10-5-3-2-4-6-10/h2-6,18H,7-8H2,1H3