tert-butyl [5-methyl-2-[4-(6-nitrooxyhexoxy)phenyl]pyrazol-3-yl] carbonate

Systemtic Name: tert-butyl [5-methyl-2-[4-(6-nitrooxyhexoxy)phenyl]pyrazol-3-yl] carbonate Openeye Name: tert-butyl [5-methyl-2-[4-(6-nitrooxyhexoxy)phenyl]pyrazol-3-yl] carbonate CAS Name: carbonic acid tert-butyl [5-methyl-2-[4-(6-nitrooxyhexoxy)phenyl]-3-pyrazolyl] ester IUPAC Name: tert-butyl [5-methyl-2-[4-(6-nitrooxyhexoxy)phenyl]pyrazol-3-yl] carbonate Traditional Name: carbonic acid tert-butyl [5-methyl-2-[4-(6-nitrooxyhexoxy)phenyl]pyrazol-3-yl] ester Formula: C21H29N3O7 MolecularWeight: 435.47086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)OC(C)(C)C)C2=CC=C(C=C2)OCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)OC(C)(C)C)C2=CC=C(C=C2)OCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O7/c1-16-15-19(30-20(25)31-21(2,3)4)23(22-16)17-9-11-18(12-10-17)28-13-7-5-6-8-14-29-24(26)27/h9-12,15H,5-8,13-14H2,1-4H3