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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(5-piperonyl-1,3,4-oxadiazol-2-yl)benzamide Formula: C17H11N5O8 MolecularWeight: 413.29794

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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(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H11N5O8/c23-16(10-5-11(21(24)25)7-12(6-10)22(26)27)18-17-20-19-15(30-17)4-9-1-2-13-14(3-9)29-8-28-13/h1-3,5-7H,4,8H2,(H,18,20,23)