2-azanyl-2-(cyanomethyl)-3-oxidanylidene-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-azanyl-2-(cyanomethyl)-3-oxidanylidene-3-phenylmethoxy-propanoic acid Openeye Name: 2-amino-3-benzyloxy-2-(cyanomethyl)-3-oxo-propanoic acid CAS Name: 2-amino-2-(cyanomethyl)-3-oxo-3-phenylmethoxypropanoic acid IUPAC Name: 2-amino-2-(cyanomethyl)-3-oxo-3-phenylmethoxypropanoic acid Traditional Name: 2-amino-3-benzoxy-2-(cyanomethyl)-3-keto-propionic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c13-7-6-12(14,10(15)16)11(17)18-8-9-4-2-1-3-5-9/h1-5H,6,8,14H2,(H,15,16)