1-[4-(2-bromanylethanoyl)-2-cyano-phenyl]-3-tert-butyl-urea

Systemtic Name: 1-[4-(2-bromanylethanoyl)-2-cyano-phenyl]-3-tert-butyl-urea Openeye Name: 1-[4-(2-bromoacetyl)-2-cyano-phenyl]-3-tert-butyl-urea CAS Name: 1-[4-(2-bromo-1-oxoethyl)-2-cyanophenyl]-3-tert-butylurea IUPAC Name: 1-[4-(2-bromoacetyl)-2-cyanophenyl]-3-tert-butylurea Traditional Name: 1-[4-(2-bromoacetyl)-2-cyano-phenyl]-3-tert-butyl-urea Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=C(C=C(C=C1)C(=O)CBr)C#N

Isomeric SMILES

CC(C)(C)NC(=O)NC1=C(C=C(C=C1)C(=O)CBr)C#N

InChI

InChI=1S/C14H16BrN3O2/c1-14(2,3)18-13(20)17-11-5-4-9(12(19)7-15)6-10(11)8-16/h4-6H,7H2,1-3H3,(H2,17,18,20)