methyl (2S)-4-chloranyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl (2S)-4-chloranyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-4-chloro-4-oxo-butanoate CAS Name: (2S)-4-chloro-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-chloro-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-chloro-4-keto-butyric acid methyl ester Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)Cl)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@H](CC(=O)Cl)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H14ClNO5/c1-19-12(17)10(7-11(14)16)15-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,18)/t10-/m0/s1