butyl 4-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate

Systemtic Name: butyl 4-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate Openeye Name: butyl 4-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate CAS Name: 4-[[[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoic acid butyl ester Formula: C20H18ClF3N2O5 MolecularWeight: 458.81553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H18ClF3N2O5/c1-2-3-10-29-17(27)12-4-7-14(8-5-12)25-18(28)26-20(19(22,23)24)30-15-9-6-13(21)11-16(15)31-20/h4-9,11H,2-3,10H2,1H3,(H2,25,26,28)