2-azanyl-3-bromanyl-5-[1-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-2-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-bromanyl-5-[1-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-2-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-bromo-5-[2-hydroxy-1-[(2-hydroxy-1,1-dimethyl-ethyl)amino]ethyl]benzonitrile CAS Name: 2-amino-3-bromo-5-[2-hydroxy-1-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]benzonitrile IUPAC Name: 2-amino-3-bromo-5-[2-hydroxy-1-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]benzonitrile Traditional Name: 2-amino-3-bromo-5-[2-hydroxy-1-[(2-hydroxy-1,1-dimethyl-ethyl)amino]ethyl]benzonitrile Formula: C13H18BrN3O2 MolecularWeight: 328.20492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O2/c1-13(2,7-19)17-11(6-18)8-3-9(5-15)12(16)10(14)4-8/h3-4,11,17-19H,6-7,16H2,1-2H3