6-nitro-2-phenyl-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3-benzoxazole

Systemtic Name: 6-nitro-2-phenyl-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3-benzoxazole Openeye Name: 6-nitro-2-phenyl-5-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-1,3-benzoxazole CAS Name: 6-nitro-2-phenyl-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3-benzoxazole IUPAC Name: 6-nitro-2-phenyl-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3-benzoxazole Traditional Name: 6-nitro-2-phenyl-5-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-1,3-benzoxazole Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)N=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C3C(=C2)N=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O4/c1-26(2,3)17-27(4,5)19-11-13-20(14-12-19)32-24-15-21-23(16-22(24)29(30)31)33-25(28-21)18-9-7-6-8-10-18/h6-16H,17H2,1-5H3