N1'-(cyanomethyl)-5-ethyl-6-nitro-6-phenyl-cyclohexa-2,4-diene-1,1-dicarboxamide

Systemtic Name: N1'-(cyanomethyl)-5-ethyl-6-nitro-6-phenyl-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(cyanomethyl)-5-ethyl-6-nitro-6-phenyl-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(cyanomethyl)-5-ethyl-6-nitro-6-phenylcyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(cyanomethyl)-5-ethyl-6-nitro-6-phenylcyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(cyanomethyl)-5-ethyl-6-nitro-6-phenyl-cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C18H18N4O4 MolecularWeight: 354.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(C1(C2=CC=CC=C2)[N+](=O)[O-])(C(=O)N)C(=O)NCC#N

Isomeric SMILES

CCC1=CC=CC(C1(C2=CC=CC=C2)[N+](=O)[O-])(C(=O)N)C(=O)NCC#N

InChI

InChI=1S/C18H18N4O4/c1-2-13-9-6-10-17(15(20)23,16(24)21-12-11-19)18(13,22(25)26)14-7-4-3-5-8-14/h3-10H,2,12H2,1H3,(H2,20,23)(H,21,24)