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

Systemtic Name: ethyl 4-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoate Openeye Name: ethyl 4-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoate CAS Name: 4-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoate Traditional Name: 4-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoic acid ethyl ester Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c1-3-5-14-16-10-11-17(14,19)13-8-6-12(7-9-13)15(18)20-4-2/h3,5-11H,4H2,1-2H3/b5-3+