2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[(piperonylamino)methylene]cyclohexane-1,3-quinone Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C1=O)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO4/c23-18-9-16(15-4-2-1-3-5-15)10-19(24)17(18)12-22-11-14-6-7-20-21(8-14)26-13-25-20/h1-8,12,16,22H,9-11,13H2