5,5-dimethyl-2-[(1-oxidanylbutan-2-ylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[(1-oxidanylbutan-2-ylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[1-(hydroxymethyl)propylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(1-hydroxybutan-2-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(1-hydroxybutan-2-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[(1-methylolpropylamino)methylene]cyclohexane-1,3-quinone Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC=C1C(=O)CC(CC1=O)(C)C

Isomeric SMILES

CCC(CO)NC=C1C(=O)CC(CC1=O)(C)C

InChI

InChI=1S/C13H21NO3/c1-4-9(8-15)14-7-10-11(16)5-13(2,3)6-12(10)17/h7,9,14-15H,4-6,8H2,1-3H3