N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-(5-piperonyl-1,3,4-oxadiazol-2-yl)benzamide Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6/c22-16(11-2-4-12(5-3-11)21(23)24)18-17-20-19-15(27-17)8-10-1-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H,18,20,22)