2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hexadecanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hexadecanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl hexadecanoate CAS Name: hexadecanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hexadecanoate Traditional Name: palmitic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C22H39N3O4 MolecularWeight: 409.56276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCN1C(=NC=C1[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCN1C(=NC=C1[N+](=O)[O-])C

InChI

InChI=1S/C22H39N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)29-18-17-24-20(2)23-19-21(24)25(27)28/h19H,3-18H2,1-2H3