(4-cyanophenyl) N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate

Systemtic Name: (4-cyanophenyl) N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate Openeye Name: (4-cyanophenyl) N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate CAS Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate Traditional Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamic acid (4-cyanophenyl) ester Formula: C16H8ClF3N2O4 MolecularWeight: 384.69393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)OC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H8ClF3N2O4/c17-10-3-6-12-13(7-10)26-16(25-12,15(18,19)20)22-14(23)24-11-4-1-9(8-21)2-5-11/h1-7H,(H,22,23)