1,1-bis(cyanomethyl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1,1-bis(cyanomethyl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1,1-bis(cyanomethyl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1,1-bis(cyanomethyl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1,1-bis(cyanomethyl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1,1-bis(cyanomethyl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C12H9F3N4O MolecularWeight: 282.22127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)N(CC#N)CC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)N(CC#N)CC#N)C(F)(F)F

InChI

InChI=1S/C12H9F3N4O/c13-12(14,15)9-2-1-3-10(8-9)18-11(20)19(6-4-16)7-5-17/h1-3,8H,6-7H2,(H,18,20)