N-[bis(azanyl)methylidene]-2-chloranyl-4-propan-2-yl-5-(trifluoromethyl)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-2-chloranyl-4-propan-2-yl-5-(trifluoromethyl)benzamide hydrochloride Openeye Name: 2-chloro-N-(diaminomethylene)-4-isopropyl-5-(trifluoromethyl)benzamide hydrochloride CAS Name: 2-chloro-N-(diaminomethylidene)-4-propan-2-yl-5-(trifluoromethyl)benzamide hydrochloride IUPAC Name: 2-chloro-N-(diaminomethylidene)-4-propan-2-yl-5-(trifluoromethyl)benzamide hydrochloride Traditional Name: 2-chloro-N-(diaminomethylene)-4-isopropyl-5-(trifluoromethyl)benzamide hydrochloride Formula: C12H14Cl2F3N3O MolecularWeight: 344.16027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClF3N3O.ClH/c1-5(2)6-4-9(13)7(10(20)19-11(17)18)3-8(6)12(14,15)16;/h3-5H,1-2H3,(H4,17,18,19,20);1H