1-(4-butanoylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(4-butanoylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(4-butanoylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-[4-(1-oxobutyl)phenyl]-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(4-butanoylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(4-butyrylphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C19H17F3N2O4 MolecularWeight: 394.34449

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O4/c1-2-5-14(25)12-8-10-13(11-9-12)23-17(26)24-19(18(20,21)22)27-15-6-3-4-7-16(15)28-19/h3-4,6-11H,2,5H2,1H3,(H2,23,24,26)