5-dodecoxy-3-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one

Systemtic Name: 5-dodecoxy-3-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one Openeye Name: 5-dodecoxy-3-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one CAS Name: 5-dodecoxy-3-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-dodecoxy-3-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-one Traditional Name: 5-lauryloxy-3-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazol-2-one Formula: C21H31N3O5 MolecularWeight: 405.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NN(C(=O)O1)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCOC1=NN(C(=O)O1)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H31N3O5/c1-3-4-5-6-7-8-9-10-11-12-15-28-20-22-23(21(25)29-20)18-13-14-19(24(26)27)17(2)16-18/h13-14,16H,3-12,15H2,1-2H3