2-azanyl-5-[2-[tert-butyl(oxidanyl)amino]-1-oxidanyl-ethyl]-3-chloranyl-benzenecarbonitrile hydrochloride

Systemtic Name: 2-azanyl-5-[2-[tert-butyl(oxidanyl)amino]-1-oxidanyl-ethyl]-3-chloranyl-benzenecarbonitrile hydrochloride Openeye Name: 2-amino-5-[2-[tert-butyl(hydroxy)amino]-1-hydroxy-ethyl]-3-chloro-benzonitrile hydrochloride CAS Name: 2-amino-5-[2-[tert-butyl(hydroxy)amino]-1-hydroxyethyl]-3-chlorobenzonitrile hydrochloride IUPAC Name: 2-amino-5-[2-[tert-butyl(hydroxy)amino]-1-hydroxyethyl]-3-chlorobenzonitrile hydrochloride Traditional Name: 2-amino-5-[2-[tert-butyl(hydroxy)amino]-1-hydroxy-ethyl]-3-chloro-benzonitrile hydrochloride Formula: C13H19Cl2N3O2 MolecularWeight: 320.21486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2.ClH/c1-13(2,3)17(19)7-11(18)8-4-9(6-15)12(16)10(14)5-8;/h4-5,11,18-19H,7,16H2,1-3H3;1H