5-azanyl-2-(2,2-dimethyl-3-oxidanyl-propoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 5-azanyl-2-(2,2-dimethyl-3-oxidanyl-propoxy)benzenecarbonitrile hydrochloride Openeye Name: 5-amino-2-(3-hydroxy-2,2-dimethyl-propoxy)benzonitrile hydrochloride CAS Name: 5-amino-2-(3-hydroxy-2,2-dimethylpropoxy)benzonitrile hydrochloride IUPAC Name: 5-amino-2-(3-hydroxy-2,2-dimethylpropoxy)benzonitrile hydrochloride Traditional Name: 5-amino-2-(3-hydroxy-2,2-dimethyl-propoxy)benzonitrile hydrochloride Formula: C12H17ClN2O2 MolecularWeight: 256.72858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1=C(C=C(C=C1)N)C#N.Cl

Isomeric SMILES

CC(C)(CO)COC1=C(C=C(C=C1)N)C#N.Cl

InChI

InChI=1S/C12H16N2O2.ClH/c1-12(2,7-15)8-16-11-4-3-10(14)5-9(11)6-13;/h3-5,15H,7-8,14H2,1-2H3;1H