N-(2-cyanoethyl)-3,5-dinitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(2-cyanoethyl)-3,5-dinitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(2-cyanoethyl)-3,5-dinitro-benzamide CAS Name: N-(2-cyanoethyl)-3,5-dinitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(2-cyanoethyl)-3,5-dinitrobenzamide Traditional Name: N-benzyl-N-(2-cyanoethyl)-3,5-dinitro-benzamide Formula: C17H14N4O5 MolecularWeight: 354.31686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5/c18-7-4-8-19(12-13-5-2-1-3-6-13)17(22)14-9-15(20(23)24)11-16(10-14)21(25)26/h1-3,5-6,9-11H,4,8,12H2