N-(2-cyanoethyl)-N-ethyl-3-nitro-benzamide

Systemtic Name: N-(2-cyanoethyl)-N-ethyl-3-nitro-benzamide Openeye Name: N-(2-cyanoethyl)-N-ethyl-3-nitro-benzamide CAS Name: N-(2-cyanoethyl)-N-ethyl-3-nitrobenzamide IUPAC Name: N-(2-cyanoethyl)-N-ethyl-3-nitrobenzamide Traditional Name: N-(2-cyanoethyl)-N-ethyl-3-nitro-benzamide Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-2-14(8-4-7-13)12(16)10-5-3-6-11(9-10)15(17)18/h3,5-6,9H,2,4,8H2,1H3