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

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

Click to see the large picture

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-]

Isomeric SMILES

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

InChI

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