N-[3-[3-(4-nitrophenyl)-3-oxidanylidene-prop-1-ynyl]phenyl]hexadecanamide

Systemtic Name: N-[3-[3-(4-nitrophenyl)-3-oxidanylidene-prop-1-ynyl]phenyl]hexadecanamide Openeye Name: N-[3-[3-(4-nitrophenyl)-3-oxo-prop-1-ynyl]phenyl]hexadecanamide CAS Name: N-[3-[3-(4-nitrophenyl)-3-oxoprop-1-ynyl]phenyl]hexadecanamide IUPAC Name: N-[3-[3-(4-nitrophenyl)-3-oxoprop-1-ynyl]phenyl]hexadecanamide Traditional Name: N-[3-[3-keto-3-(4-nitrophenyl)prop-1-ynyl]phenyl]palmitamide Formula: C31H40N2O4 MolecularWeight: 504.6603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C31H40N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-31(35)32-28-17-15-16-26(25-28)19-24-30(34)27-20-22-29(23-21-27)33(36)37/h15-17,20-23,25H,2-14,18H2,1H3,(H,32,35)