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

Systemtic Name: 2-[(1,3-benzodioxol-5-ylamino)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(1,3-benzodioxol-5-ylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(1,3-benzodioxol-5-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(1,3-benzodioxol-5-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(1,3-benzodioxol-5-ylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC3=C(C=C2)OCO3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC3=C(C=C2)OCO3)C(=O)C1)C

InChI

InChI=1S/C16H17NO4/c1-16(2)6-12(18)11(13(19)7-16)8-17-10-3-4-14-15(5-10)21-9-20-14/h3-5,8,17H,6-7,9H2,1-2H3