3-(2-bromophenyl)-1,1-bis(2-cyanoethyl)urea

Systemtic Name: 3-(2-bromophenyl)-1,1-bis(2-cyanoethyl)urea Openeye Name: 3-(2-bromophenyl)-1,1-bis(2-cyanoethyl)urea CAS Name: 3-(2-bromophenyl)-1,1-bis(2-cyanoethyl)urea IUPAC Name: 3-(2-bromophenyl)-1,1-bis(2-cyanoethyl)urea Traditional Name: 3-(2-bromophenyl)-1,1-bis(2-cyanoethyl)urea Formula: C13H13BrN4O MolecularWeight: 321.17252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)N(CCC#N)CCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)N(CCC#N)CCC#N)Br

InChI

InChI=1S/C13H13BrN4O/c14-11-5-1-2-6-12(11)17-13(19)18(9-3-7-15)10-4-8-16/h1-2,5-6H,3-4,9-10H2,(H,17,19)