phenyl 2-(acetamidomethyl)-3-oxidanylidene-butanoate

Systemtic Name: phenyl 2-(acetamidomethyl)-3-oxidanylidene-butanoate Openeye Name: phenyl 2-(acetamidomethyl)-3-oxo-butanoate CAS Name: 2-(acetamidomethyl)-3-oxobutanoic acid phenyl ester IUPAC Name: phenyl 2-(acetamidomethyl)-3-oxobutanoate Traditional Name: 2-(acetamidomethyl)-3-keto-butyric acid phenyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CNC(=O)C)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CC(=O)C(CNC(=O)C)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H15NO4/c1-9(15)12(8-14-10(2)16)13(17)18-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,14,16)