1-[3,4-bis(oxidanyl)phenyl]-2-(butylamino)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(butylamino)ethanone Openeye Name: 2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCNCC(=O)C1=CC(=C(C=C1)O)O

InChI

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