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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (3-phenyl-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-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (3-phenyl-1,2,4-oxadiazol-5-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=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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