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

Systemtic Name: 2-azanyl-3-[5-(1-ethyl-1,2,3,4-tetrazol-5-yl)-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[5-(1-ethyltetrazol-5-yl)-3-oxo-isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[5-(1-ethyl-5-tetrazolyl)-3-oxo-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[5-(1-ethyltetrazol-5-yl)-3-oxo-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[5-(1-ethyltetrazol-5-yl)-3-keto-4-isoxazolin-4-yl]propionic acid Formula: C9H12N6O4 MolecularWeight: 268.22938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

Isomeric SMILES

CCN1C(=NN=N1)C2=C(C(=O)NO2)CC(C(=O)O)N

InChI

InChI=1S/C9H12N6O4/c1-2-15-7(11-13-14-15)6-4(8(16)12-19-6)3-5(10)9(17)18/h5H,2-3,10H2,1H3,(H,12,16)(H,17,18)