3-[2,5-bis(fluoranyl)phenyl]-1,1-bis(2-cyanoethyl)urea

Systemtic Name: 3-[2,5-bis(fluoranyl)phenyl]-1,1-bis(2-cyanoethyl)urea Openeye Name: 1,1-bis(2-cyanoethyl)-3-(2,5-difluorophenyl)urea CAS Name: 1,1-bis(2-cyanoethyl)-3-(2,5-difluorophenyl)urea IUPAC Name: 1,1-bis(2-cyanoethyl)-3-(2,5-difluorophenyl)urea Traditional Name: 1,1-bis(2-cyanoethyl)-3-(2,5-difluorophenyl)urea Formula: C13H12F2N4O MolecularWeight: 278.257386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)NC(=O)N(CCC#N)CCC#N)F

Isomeric SMILES

C1=CC(=C(C=C1F)NC(=O)N(CCC#N)CCC#N)F

InChI

InChI=1S/C13H12F2N4O/c14-10-3-4-11(15)12(9-10)18-13(20)19(7-1-5-16)8-2-6-17/h3-4,9H,1-2,7-8H2,(H,18,20)