3-azanyl-4-bromanyl-2-(methylamino)-6-(2-methyl-3-oxidanylidene-butan-2-yl)benzenecarbonitrile

Systemtic Name: 3-azanyl-4-bromanyl-2-(methylamino)-6-(2-methyl-3-oxidanylidene-butan-2-yl)benzenecarbonitrile Openeye Name: 3-amino-4-bromo-6-(1,1-dimethyl-2-oxo-propyl)-2-(methylamino)benzonitrile CAS Name: 3-amino-4-bromo-2-(methylamino)-6-(2-methyl-3-oxobutan-2-yl)benzonitrile IUPAC Name: 3-amino-4-bromo-2-(methylamino)-6-(2-methyl-3-oxobutan-2-yl)benzonitrile Traditional Name: 3-amino-4-bromo-6-(2-keto-1,1-dimethyl-propyl)-2-(methylamino)benzonitrile Formula: C13H16BrN3O MolecularWeight: 310.18964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C1=CC(=C(C(=C1C#N)NC)N)Br

Isomeric SMILES

CC(=O)C(C)(C)C1=CC(=C(C(=C1C#N)NC)N)Br

InChI

InChI=1S/C13H16BrN3O/c1-7(18)13(2,3)9-5-10(14)11(16)12(17-4)8(9)6-15/h5,17H,16H2,1-4H3