2-(5-acetamido-2-oxidanyl-phenyl)-2-(cyanomethylamino)ethanoic acid

Systemtic Name: 2-(5-acetamido-2-oxidanyl-phenyl)-2-(cyanomethylamino)ethanoic acid Openeye Name: 2-(5-acetamido-2-hydroxy-phenyl)-2-(cyanomethylamino)acetic acid CAS Name: 2-(5-acetamido-2-hydroxyphenyl)-2-(cyanomethylamino)acetic acid IUPAC Name: 2-(5-acetamido-2-hydroxyphenyl)-2-(cyanomethylamino)acetic acid Traditional Name: 2-(5-acetamido-2-hydroxy-phenyl)-2-(cyanomethylamino)acetic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)C(C(=O)O)NCC#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)C(C(=O)O)NCC#N

InChI

InChI=1S/C12H13N3O4/c1-7(16)15-8-2-3-10(17)9(6-8)11(12(18)19)14-5-4-13/h2-3,6,11,14,17H,5H2,1H3,(H,15,16)(H,18,19)