ethyl 3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-4-oxidanyl-benzoate

Systemtic Name: ethyl 3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-4-oxidanyl-benzoate Openeye Name: ethyl 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoate CAS Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoate Traditional Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoic acid ethyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)O)[N+]2(C=CN=C2C=CC)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)O)[N+]2(C=CN=C2/C=C/C)[O-]

InChI

InChI=1S/C15H16N2O4/c1-3-5-14-16-8-9-17(14,20)12-10-11(6-7-13(12)18)15(19)21-4-2/h3,5-10,18H,4H2,1-2H3/b5-3+