ethyl 4-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H17ClF3N3O5 MolecularWeight: 423.77149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H17ClF3N3O5/c1-2-26-14(25)23-7-5-22(6-8-23)13(24)21-16(15(18,19)20)27-11-4-3-10(17)9-12(11)28-16/h3-4,9H,2,5-8H2,1H3,(H,21,24)