1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C17H14BrF3N2O3 MolecularWeight: 431.20387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F)C)Br

InChI

InChI=1S/C17H14BrF3N2O3/c1-9-7-11(18)8-10(2)14(9)22-15(24)23-17(16(19,20)21)25-12-5-3-4-6-13(12)26-17/h3-8H,1-2H3,(H2,22,23,24)