phenyl N'-[3,5-bis(trifluoromethyl)phenyl]-N-cyano-carbamimidate

Systemtic Name: phenyl N'-[3,5-bis(trifluoromethyl)phenyl]-N-cyano-carbamimidate Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-2-phenyl-isourea CAS Name: N'-[3,5-bis(trifluoromethyl)phenyl]-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-[3,5-bis(trifluoromethyl)phenyl]-N-cyanocarbamimidate Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-cyano-2-phenyl-isourea Formula: C16H9F6N3O MolecularWeight: 373.252579

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC#N

InChI

InChI=1S/C16H9F6N3O/c17-15(18,19)10-6-11(16(20,21)22)8-12(7-10)25-14(24-9-23)26-13-4-2-1-3-5-13/h1-8H,(H,24,25)