1-[1-cyano-1-(4-nitrophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[1-cyano-1-(4-nitrophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[1-cyano-1-(4-nitrophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[1-cyano-1-(4-nitrophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[1-cyano-1-(4-nitrophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[1-cyano-1-(4-nitrophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C17H13F3N4O3 MolecularWeight: 378.30533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C#N)(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O3/c1-16(10-21,11-5-7-14(8-6-11)24(26)27)23-15(25)22-13-4-2-3-12(9-13)17(18,19)20/h2-9H,1H3,(H2,22,23,25)