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

Systemtic Name: methyl 4-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H12ClF3N2O5 MolecularWeight: 416.73579

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClF3N2O5/c1-26-14(24)9-2-5-11(6-3-9)22-15(25)23-17(16(19,20)21)27-12-7-4-10(18)8-13(12)28-17/h2-8H,1H3,(H2,22,23,25)