2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyliminomethyl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(piperonyliminomethyl)cyclohexane-1,3-quinone Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H19NO4/c1-17(2)6-13(19)12(14(20)7-17)9-18-8-11-3-4-15-16(5-11)22-10-21-15/h3-5,9,12H,6-8,10H2,1-2H3