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

Systemtic Name: phenyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidate Openeye Name: 1-cyano-2-phenyl-3-[3-(trifluoromethyl)phenyl]isourea CAS Name: N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidate Traditional Name: 1-cyano-2-phenyl-3-[3-(trifluoromethyl)phenyl]isourea Formula: C15H10F3N3O MolecularWeight: 305.25461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3N3O/c16-15(17,18)11-5-4-6-12(9-11)21-14(20-10-19)22-13-7-2-1-3-8-13/h1-9H,(H,20,21)