methyl (2S)-2-(3-oxidanylidenebutanoylamino)-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-(3-oxidanylidenebutanoylamino)-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-(3-oxobutanoylamino)-2-phenyl-acetate CAS Name: (2S)-2-(1,3-dioxobutylamino)-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-(3-oxobutanoylamino)-2-phenylacetate Traditional Name: (2S)-2-(acetoacetylamino)-2-phenyl-acetic acid methyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)CC(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C13H15NO4/c1-9(15)8-11(16)14-12(13(17)18-2)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3,(H,14,16)/t12-/m0/s1