7-chloranyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-piperonylamide Formula: C18H11ClF3NO3 MolecularWeight: 381.73305

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NCC#CC3=CC(=CC=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H11ClF3NO3/c19-14-8-12(9-15-16(14)26-10-25-15)17(24)23-6-2-4-11-3-1-5-13(7-11)18(20,21)22/h1,3,5,7-9H,6,10H2,(H,23,24)