N-[bis(azanyl)methylidene]-3-tert-butyl-2-chloranyl-5-(trifluoromethyl)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-3-tert-butyl-2-chloranyl-5-(trifluoromethyl)benzamide hydrochloride Openeye Name: 3-tert-butyl-2-chloro-N-(diaminomethylene)-5-(trifluoromethyl)benzamide hydrochloride CAS Name: 3-tert-butyl-2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide hydrochloride IUPAC Name: 3-tert-butyl-2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide hydrochloride Traditional Name: 3-tert-butyl-2-chloro-N-(diaminomethylene)-5-(trifluoromethyl)benzamide hydrochloride Formula: C13H16Cl2F3N3O MolecularWeight: 358.18685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C(F)(F)F)C(=O)N=C(N)N)Cl.Cl

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C(F)(F)F)C(=O)N=C(N)N)Cl.Cl

InChI

InChI=1S/C13H15ClF3N3O.ClH/c1-12(2,3)8-5-6(13(15,16)17)4-7(9(8)14)10(21)20-11(18)19;/h4-5H,1-3H3,(H4,18,19,20,21);1H