(2E)-2-(1H-imidazol-5-ylmethylidene)butanoate

Systemtic Name: (2E)-2-(1H-imidazol-5-ylmethylidene)butanoate Openeye Name: (2E)-2-(1H-imidazol-5-ylmethylene)butanoate CAS Name: (2E)-2-(1H-imidazol-5-ylmethylidene)butanoate IUPAC Name: (2E)-2-(1H-imidazol-5-ylmethylidene)butanoate Traditional Name: (E)-2-ethyl-3-(1H-imidazol-5-yl)acrylate Formula: C8H9N2O2- MolecularWeight: 165.16926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CN=CN1)C(=O)[O-]

Isomeric SMILES

CC/C(=C\C1=CN=CN1)/C(=O)[O-]

InChI

InChI=1S/C8H10N2O2/c1-2-6(8(11)12)3-7-4-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)(H,11,12)/p-1/b6-3+