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

Systemtic Name: N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(5-p-phenetyl-1,3,4-oxadiazol-2-yl)benzamide Formula: C17H13N5O7 MolecularWeight: 399.31442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O7/c1-2-28-14-5-3-10(4-6-14)16-19-20-17(29-16)18-15(23)11-7-12(21(24)25)9-13(8-11)22(26)27/h3-9H,2H2,1H3,(H,18,20,23)