(2S)-3-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate Openeye Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate IUPAC Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoate Traditional Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propionate Formula: C13H11N2O5- MolecularWeight: 275.23684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)C(CC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)[C@H](CC2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C13H12N2O5/c1-7-14-15-12(20-7)9(13(16)17)4-8-2-3-10-11(5-8)19-6-18-10/h2-3,5,9H,4,6H2,1H3,(H,16,17)/p-1/t9-/m0/s1