1,1-bis(2-cyanoethyl)-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1,1-bis(2-cyanoethyl)-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1,1-bis(2-cyanoethyl)-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1,1-bis(2-cyanoethyl)-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1,1-bis(2-cyanoethyl)-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1,1-bis(2-cyanoethyl)-3-[4-(trifluoromethoxy)phenyl]urea Formula: C14H13F3N4O2 MolecularWeight: 326.27383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)N(CCC#N)CCC#N)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)N(CCC#N)CCC#N)OC(F)(F)F

InChI

InChI=1S/C14H13F3N4O2/c15-14(16,17)23-12-5-3-11(4-6-12)20-13(22)21(9-1-7-18)10-2-8-19/h3-6H,1-2,9-10H2,(H,20,22)