5-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

Systemtic Name: 5-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid Openeye Name: 5-(1-benzyl-2-hydroxy-2-oxo-ethyl)-1,2,4-oxadiazole-3-carboxylic acid CAS Name: 5-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid IUPAC Name: 5-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid Traditional Name: 5-(1-benzyl-2-hydroxy-2-keto-ethyl)-1,2,4-oxadiazole-3-carboxylic acid Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC(=NO2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NC(=NO2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O5/c15-11(16)8(6-7-4-2-1-3-5-7)10-13-9(12(17)18)14-19-10/h1-5,8H,6H2,(H,15,16)(H,17,18)