(2S)-2-azanyl-4-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-azanyl-4-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-amino-4-(3,4-difluorophenyl)-4-oxo-butanoic acid CAS Name: (2S)-2-amino-4-(3,4-difluorophenyl)-4-oxobutanoic acid IUPAC Name: (2S)-2-amino-4-(3,4-difluorophenyl)-4-oxobutanoic acid Traditional Name: (2S)-2-amino-4-(3,4-difluorophenyl)-4-keto-butyric acid Formula: C10H9F2NO3 MolecularWeight: 229.180166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CC(C(=O)O)N)F)F

Isomeric SMILES

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

InChI

InChI=1S/C10H9F2NO3/c11-6-2-1-5(3-7(6)12)9(14)4-8(13)10(15)16/h1-3,8H,4,13H2,(H,15,16)/t8-/m0/s1