2-azanyl-3-[5-(6-methylpyridin-2-yl)-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-(6-methylpyridin-2-yl)-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[5-(6-methyl-2-pyridyl)-3-oxo-isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[5-(6-methyl-2-pyridinyl)-3-oxo-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[5-(6-methylpyridin-2-yl)-3-oxo-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-keto-5-(6-methyl-2-pyridyl)-4-isoxazolin-4-yl]propionic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=CC(=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

InChI

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