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

Systemtic Name: 2-azanyl-3-[3-oxidanylidene-5-(1H-1,2,4-triazol-5-yl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[3-oxo-5-(1H-1,2,4-triazol-5-yl)isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-oxo-5-(1H-1,2,4-triazol-5-yl)-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[3-oxo-5-(1H-1,2,4-triazol-5-yl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-keto-5-(1H-1,2,4-triazol-5-yl)-4-isoxazolin-4-yl]propionic acid Formula: C8H9N5O4 MolecularWeight: 239.18816

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

Isomeric SMILES

C1=NNC(=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

InChI

InChI=1S/C8H9N5O4/c9-4(8(15)16)1-3-5(17-13-7(3)14)6-10-2-11-12-6/h2,4H,1,9H2,(H,13,14)(H,15,16)(H,10,11,12)