5-(hexylamino)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-(hexylamino)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 5-(hexylamino)-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 5-(hexylamino)-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-(hexylamino)-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 5-(hexylamino)-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=C(C(=O)C=C1)O

Isomeric SMILES

CCCCCCNC1=CC=C(C(=O)C=C1)O

InChI

InChI=1S/C13H19NO2/c1-2-3-4-5-10-14-11-6-8-12(15)13(16)9-7-11/h6-9,14H,2-5,10H2,1H3,(H,15,16)