ethyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18F3N3O5 MolecularWeight: 389.32643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O5/c1-2-25-14(24)22-9-7-21(8-10-22)13(23)20-16(15(17,18)19)26-11-5-3-4-6-12(11)27-16/h3-6H,2,7-10H2,1H3,(H,20,23)