(2E)-2-(1H-imidazol-5-ylmethylidene)-3,3a,4,5,6,6a-hexahydropentalen-1-one

Systemtic Name: (2E)-2-(1H-imidazol-5-ylmethylidene)-3,3a,4,5,6,6a-hexahydropentalen-1-one Openeye Name: (2E)-2-(1H-imidazol-5-ylmethylene)-3,3a,4,5,6,6a-hexahydropentalen-1-one CAS Name: (2E)-2-(1H-imidazol-5-ylmethylidene)-3,3a,4,5,6,6a-hexahydropentalen-1-one IUPAC Name: (2E)-2-(1H-imidazol-5-ylmethylidene)-3,3a,4,5,6,6a-hexahydropentalen-1-one Traditional Name: (2E)-2-(1H-imidazol-5-ylmethylene)-3,3a,4,5,6,6a-hexahydropentalen-1-one Formula: C12H14N2O MolecularWeight: 202.25236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(=CC3=CN=CN3)C(=O)C2C1

Isomeric SMILES

C1CC2C/C(=C\C3=CN=CN3)/C(=O)C2C1

InChI

InChI=1S/C12H14N2O/c15-12-9(5-10-6-13-7-14-10)4-8-2-1-3-11(8)12/h5-8,11H,1-4H2,(H,13,14)/b9-5+