3-[4-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]-1,1-dimethyl-urea

Systemtic Name: 3-[4-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]-1,1-dimethyl-urea Openeye Name: 3-[4-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]-1,1-dimethyl-urea CAS Name: 3-[4-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]-1,1-dimethylurea IUPAC Name: 3-[4-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]-1,1-dimethylurea Traditional Name: 3-[4-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]-1,1-dimethyl-urea Formula: C17H14F3N3O MolecularWeight: 333.30777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

Isomeric SMILES

CN(C)C(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

InChI

InChI=1S/C17H14F3N3O/c1-21-15-9-6-12(10-14(15)17(18,19)20)11-4-7-13(8-5-11)22-16(24)23(2)3/h4-10H,2-3H3,(H,22,24)