3-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 3-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 3-[5-(1,3-benzodioxol-5-yl)isoxazol-4-yl]propanoic acid CAS Name: 3-[5-(1,3-benzodioxol-5-yl)-4-isoxazolyl]propanoic acid IUPAC Name: 3-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)isoxazol-4-yl]propionic acid Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NO3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NO3)CCC(=O)O

InChI

InChI=1S/C13H11NO5/c15-12(16)4-2-9-6-14-19-13(9)8-1-3-10-11(5-8)18-7-17-10/h1,3,5-6H,2,4,7H2,(H,15,16)