1-[3,4-bis(oxidanyl)phenyl]-2-(butan-2-ylamino)ethanone hydrochloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(butan-2-ylamino)ethanone hydrochloride Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(sec-butylamino)ethanone hydrochloride CAS Name: 2-(butan-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride IUPAC Name: 2-(butan-2-ylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(sec-butylamino)ethanone hydrochloride Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(=O)C1=CC(=C(C=C1)O)O.Cl

Isomeric SMILES

CCC(C)NCC(=O)C1=CC(=C(C=C1)O)O.Cl

InChI

InChI=1S/C12H17NO3.ClH/c1-3-8(2)13-7-12(16)9-4-5-10(14)11(15)6-9;/h4-6,8,13-15H,3,7H2,1-2H3;1H