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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-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=NOC(=N3)C4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)[N+](=O)[O-]

InChI

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