alpha-(4-hydroxyphenyl)-N-tert-butylnitrone (Q27146961)

CHEMBL2160211 (English)

8 October 2016

chemical formula

C₁₁H₁₅NO₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(C)N(=C(C1=CC=C(C=C1)O)[H])=O

1 reference

alpha-(4-hydroxyphenyl)-N-tert-butylnitrone (English)

8 October 2016

isomeric SMILES

CC(C)(C)/N(=C(/C1=CC=C(C=C1)O)\[H])=O

1 reference

alpha-(4-hydroxyphenyl)-N-tert-butylnitrone (English)

InChI=1S/C11H15NO2/c1-11(2,3)12(14)8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b12-8-

8 October 2016

Identifiers

InChI

1 reference

alpha-(4-hydroxyphenyl)-N-tert-butylnitrone (English)

PSYHRZCRICXGJJ-WQLSENKSSA-N

8 October 2016

InChIKey

2 references

alpha-(4-hydroxyphenyl)-N-tert-butylnitrone (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-{(Z)-[(2-Methyl-2-propanyl)(oxido)-lambda~5~-azanylidene]methyl}phenol (English)

8 October 2016

Reaxys registry number

4246344

1 reference

alpha-(4-hydroxyphenyl)-N-tert-butylnitrone (English)

8 October 2016

ChEBI ID

77433

mapping relation type

2 references

alpha-(4-hydroxyphenyl)-N-tert-butylnitrone (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C11H15NO2/c1-11(2,3)12(14)8-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b12-8-

1 reference

CHEMBL2160211 (English)