(2S)-2-azanyl-3-(3-cyano-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(3-cyano-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(3-cyano-4-hydroxy-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(3-cyano-4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(3-cyano-4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(3-cyano-4-hydroxy-phenyl)propionic acid Formula: C10H10N2O3 MolecularWeight: 206.198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)C#N)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)C#N)O

InChI

InChI=1S/C10H10N2O3/c11-5-7-3-6(1-2-9(7)13)4-8(12)10(14)15/h1-3,8,13H,4,12H2,(H,14,15)/t8-/m0/s1