(2,4-ditert-butyl-6-nitro-phenyl) 2-phenoxypyridine-3-carboxylate

Systemtic Name: (2,4-ditert-butyl-6-nitro-phenyl) 2-phenoxypyridine-3-carboxylate Openeye Name: (2,4-ditert-butyl-6-nitro-phenyl) 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid (2,4-ditert-butyl-6-nitrophenyl) ester IUPAC Name: (2,4-ditert-butyl-6-nitrophenyl) 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid (2,4-ditert-butyl-6-nitro-phenyl) ester Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C26H28N2O5/c1-25(2,3)17-15-20(26(4,5)6)22(21(16-17)28(30)31)33-24(29)19-13-10-14-27-23(19)32-18-11-8-7-9-12-18/h7-16H,1-6H3