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

Systemtic Name: 2-tert-butyl-6-nitro-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3-benzoxazole Openeye Name: 2-tert-butyl-6-nitro-5-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-1,3-benzoxazole CAS Name: 2-tert-butyl-6-nitro-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3-benzoxazole IUPAC Name: 2-tert-butyl-6-nitro-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3-benzoxazole Traditional Name: 2-tert-butyl-6-nitro-5-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-1,3-benzoxazole Formula: C25H32N2O4 MolecularWeight: 424.53258

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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)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-23(2,3)15-25(7,8)16-9-11-17(12-10-16)30-21-13-18-20(14-19(21)27(28)29)31-22(26-18)24(4,5)6/h9-14H,15H2,1-8H3