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

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Formula: C17H13N5O8 MolecularWeight: 415.31382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H13N5O8/c1-28-13-4-3-9(7-14(13)29-2)16-19-20-17(30-16)18-15(23)10-5-11(21(24)25)8-12(6-10)22(26)27/h3-8H,1-2H3,(H,18,20,23)