(4-methylphenyl) N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate

Systemtic Name: (4-methylphenyl) N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate Openeye Name: p-tolyl N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate CAS Name: N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamate Traditional Name: N-[5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]carbamic acid p-tolyl ester Formula: C20H20Cl3NO4 MolecularWeight: 444.7361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)NC2(OC3=C(O2)C=C(C=C3)C(C)(C)C)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)NC2(OC3=C(O2)C=C(C=C3)C(C)(C)C)C(Cl)(Cl)Cl

InChI

InChI=1S/C20H20Cl3NO4/c1-12-5-8-14(9-6-12)26-17(25)24-20(19(21,22)23)27-15-10-7-13(18(2,3)4)11-16(15)28-20/h5-11H,1-4H3,(H,24,25)