(E)-[3-(2-hydroxyethyloxy)-1,1-dimethyl-5-oxidanylidene-pyrazol-1-ium-4-ylidene]-methoxy-methanolate

Systemtic Name: (E)-[3-(2-hydroxyethyloxy)-1,1-dimethyl-5-oxidanylidene-pyrazol-1-ium-4-ylidene]-methoxy-methanolate Openeye Name: (E)-[3-(2-hydroxyethoxy)-1,1-dimethyl-5-oxo-pyrazol-1-ium-4-ylidene]-methoxy-methanolate CAS Name: (E)-[3-(2-hydroxyethoxy)-1,1-dimethyl-5-oxo-4-pyrazol-1-iumylidene]-methoxymethanolate IUPAC Name: (E)-[3-(2-hydroxyethoxy)-1,1-dimethyl-5-oxopyrazol-1-ium-4-ylidene]-methoxymethanolate Traditional Name: (E)-[3-(2-hydroxyethoxy)-5-keto-1,1-dimethyl-2-pyrazolin-1-ium-4-ylidene]-methoxy-methanolate Formula: C9H14N2O5 MolecularWeight: 230.21786

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C(=C([O-])OC)C(=N1)OCCO)C

Isomeric SMILES

C[N+]1(C(=O)/C(=C(\[O-])/OC)/C(=N1)OCCO)C

InChI

InChI=1S/C9H14N2O5/c1-11(2)8(13)6(9(14)15-3)7(10-11)16-5-4-12/h12H,4-5H2,1-3H3