3,3-dimethyl-2-methylidene-5-nitro-1-octadecyl-indole

Systemtic Name: 3,3-dimethyl-2-methylidene-5-nitro-1-octadecyl-indole Openeye Name: 3,3-dimethyl-2-methylene-5-nitro-1-octadecyl-indoline CAS Name: 3,3-dimethyl-2-methylene-5-nitro-1-octadecylindole IUPAC Name: 3,3-dimethyl-2-methylidene-5-nitro-1-octadecylindole Traditional Name: 3,3-dimethyl-2-methylene-5-nitro-1-stearyl-indoline Formula: C29H48N2O2 MolecularWeight: 456.70362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=C)C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=C)C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C

InChI

InChI=1S/C29H48N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-25(2)29(3,4)27-24-26(31(32)33)21-22-28(27)30/h21-22,24H,2,5-20,23H2,1,3-4H3