2-azanyl-3-bromanyl-5-[1-(tert-butylamino)-2-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-bromanyl-5-[1-(tert-butylamino)-2-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-bromo-5-[1-(tert-butylamino)-2-hydroxy-ethyl]benzonitrile CAS Name: 2-amino-3-bromo-5-[1-(tert-butylamino)-2-hydroxyethyl]benzonitrile IUPAC Name: 2-amino-3-bromo-5-[1-(tert-butylamino)-2-hydroxyethyl]benzonitrile Traditional Name: 2-amino-3-bromo-5-[1-(tert-butylamino)-2-hydroxy-ethyl]benzonitrile Formula: C13H18BrN3O MolecularWeight: 312.20552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(CO)C1=CC(=C(C(=C1)C#N)N)Br

Isomeric SMILES

CC(C)(C)NC(CO)C1=CC(=C(C(=C1)C#N)N)Br

InChI

InChI=1S/C13H18BrN3O/c1-13(2,3)17-11(7-18)8-4-9(6-15)12(16)10(14)5-8/h4-5,11,17-18H,7,16H2,1-3H3