2-azanyl-3-bromanyl-5-[2-[tert-butyl(oxidanyl)amino]ethanoyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-bromanyl-5-[2-[tert-butyl(oxidanyl)amino]ethanoyl]benzenecarbonitrile Openeye Name: 2-amino-3-bromo-5-[2-[tert-butyl(hydroxy)amino]acetyl]benzonitrile CAS Name: 2-amino-3-bromo-5-[2-[tert-butyl(hydroxy)amino]-1-oxoethyl]benzonitrile IUPAC Name: 2-amino-3-bromo-5-[2-[tert-butyl(hydroxy)amino]acetyl]benzonitrile Traditional Name: 2-amino-3-bromo-5-[2-[tert-butyl(hydroxy)amino]acetyl]benzonitrile Formula: C13H16BrN3O2 MolecularWeight: 326.18904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O2/c1-13(2,3)17(19)7-11(18)8-4-9(6-15)12(16)10(14)5-8/h4-5,19H,7,16H2,1-3H3