1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-bromanyl-3-(trifluoromethyl)benzene

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-bromanyl-3-(trifluoromethyl)benzene Openeye Name: 1-bromo-3-(trifluoromethyl)benzene; 1-tert-butyl-3-(diaminomethylene)urea CAS Name: 1-bromo-3-(trifluoromethyl)benzene; 1-tert-butyl-3-(diaminomethylidene)urea IUPAC Name: 1-bromo-3-(trifluoromethyl)benzene; 1-tert-butyl-3-(diaminomethylidene)urea Traditional Name: 1-bromo-3-(trifluoromethyl)benzene; 1-tert-butyl-3-(diaminomethylene)urea Formula: C13H18BrF3N4O MolecularWeight: 383.20743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)Br)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)N=C(N)N.C1=CC(=CC(=C1)Br)C(F)(F)F

InChI

InChI=1S/C7H4BrF3.C6H14N4O/c8-6-3-1-2-5(4-6)7(9,10)11;1-6(2,3)10-5(11)9-4(7)8/h1-4H;1-3H3,(H5,7,8,9,10,11)