3-cyano-2-(methoxycarbonylamino)-3-oxidanyl-2-(phenylmethyl)propanoic acid

Systemtic Name: 3-cyano-2-(methoxycarbonylamino)-3-oxidanyl-2-(phenylmethyl)propanoic acid Openeye Name: 2-benzyl-3-cyano-3-hydroxy-2-(methoxycarbonylamino)propanoic acid CAS Name: 3-cyano-3-hydroxy-2-(methoxycarbonylamino)-2-(phenylmethyl)propanoic acid IUPAC Name: 2-benzyl-3-cyano-3-hydroxy-2-(methoxycarbonylamino)propanoic acid Traditional Name: 2-benzyl-2-(carbomethoxyamino)-3-cyano-3-hydroxy-propionic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC1=CC=CC=C1)(C(C#N)O)C(=O)O

Isomeric SMILES

COC(=O)NC(CC1=CC=CC=C1)(C(C#N)O)C(=O)O

InChI

InChI=1S/C13H14N2O5/c1-20-12(19)15-13(11(17)18,10(16)8-14)7-9-5-3-2-4-6-9/h2-6,10,16H,7H2,1H3,(H,15,19)(H,17,18)