(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H9N3O7S MolecularWeight: 375.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O7S/c19-15(8-4-10-11(24-7-23-10)5-9(8)18(20)21)22-6-13-16-14(17-25-13)12-2-1-3-26-12/h1-5H,6-7H2