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

Systemtic Name: methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate Openeye Name: methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoic acid methyl ester Formula: C17H13F3N2O5 MolecularWeight: 382.29073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O5/c1-25-14(23)10-6-8-11(9-7-10)21-15(24)22-17(16(18,19)20)26-12-4-2-3-5-13(12)27-17/h2-9H,1H3,(H2,21,22,24)