tert-butyl 5-(2,6-dimethyl-4-nitro-phenoxy)-3-pentyl-indazole-1-carboxylate

Systemtic Name: tert-butyl 5-(2,6-dimethyl-4-nitro-phenoxy)-3-pentyl-indazole-1-carboxylate Openeye Name: tert-butyl 5-(2,6-dimethyl-4-nitro-phenoxy)-3-pentyl-indazole-1-carboxylate CAS Name: 5-(2,6-dimethyl-4-nitrophenoxy)-3-pentyl-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2,6-dimethyl-4-nitrophenoxy)-3-pentylindazole-1-carboxylate Traditional Name: 3-amyl-5-(2,6-dimethyl-4-nitro-phenoxy)indazole-1-carboxylic acid tert-butyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C2=C1C=C(C=C2)OC3=C(C=C(C=C3C)[N+](=O)[O-])C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC1=NN(C2=C1C=C(C=C2)OC3=C(C=C(C=C3C)[N+](=O)[O-])C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O5/c1-7-8-9-10-21-20-15-19(32-23-16(2)13-18(28(30)31)14-17(23)3)11-12-22(20)27(26-21)24(29)33-25(4,5)6/h11-15H,7-10H2,1-6H3