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

Systemtic Name: phenyl N-cyano-N'-[3-methoxy-5-(trifluoromethyl)phenyl]carbamimidate Openeye Name: 1-cyano-3-[3-methoxy-5-(trifluoromethyl)phenyl]-2-phenyl-isourea CAS Name: N-cyano-N'-[3-methoxy-5-(trifluoromethyl)phenyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[3-methoxy-5-(trifluoromethyl)phenyl]carbamimidate Traditional Name: 1-cyano-3-[3-methoxy-5-(trifluoromethyl)phenyl]-2-phenyl-isourea Formula: C16H12F3N3O2 MolecularWeight: 335.28059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N=C(NC#N)OC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)N=C(NC#N)OC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O2/c1-23-14-8-11(16(17,18)19)7-12(9-14)22-15(21-10-20)24-13-5-3-2-4-6-13/h2-9H,1H3,(H,21,22)