1-[3,4-bis(oxidanyl)phenyl]-2-(3-methylpent-1-yn-3-ylamino)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(3-methylpent-1-yn-3-ylamino)ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[(1-ethyl-1-methyl-prop-2-ynyl)amino]ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(3-methylpent-1-yn-3-ylamino)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(3-methylpent-1-yn-3-ylamino)ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[(1-ethyl-1-methyl-prop-2-ynyl)amino]ethanone Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)NCC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

CCC(C)(C#C)NCC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H17NO3/c1-4-14(3,5-2)15-9-13(18)10-6-7-11(16)12(17)8-10/h1,6-8,15-17H,5,9H2,2-3H3