[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H11N3O7 MolecularWeight: 369.28514

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O7/c21-17(11-3-6-13-14(7-11)26-9-25-13)24-8-15-18-19-16(27-15)10-1-4-12(5-2-10)20(22)23/h1-7H,8-9H2