(E)-1,3-diethoxy-3-oxidanylidene-2-[(E)-[3-(phenylmethyl)imidazol-3-ium-1-yl]iminomethyl]prop-1-en-1-olate

Systemtic Name: (E)-1,3-diethoxy-3-oxidanylidene-2-[(E)-[3-(phenylmethyl)imidazol-3-ium-1-yl]iminomethyl]prop-1-en-1-olate Openeye Name: (E)-2-[(E)-(3-benzylimidazol-3-ium-1-yl)iminomethyl]-1,3-diethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-1,3-diethoxy-3-oxo-2-[(E)-[3-(phenylmethyl)-1-imidazol-3-iumyl]iminomethyl]-1-propen-1-olate IUPAC Name: (E)-2-[(E)-(3-benzylimidazol-3-ium-1-yl)iminomethyl]-1,3-diethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-2-[(E)-(3-benzylimidazol-3-ium-1-yl)iminomethyl]-1,3-diethoxy-3-keto-prop-1-en-1-olate Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C=NN1C=C[N+](=C1)CC2=CC=CC=C2)C(=O)OCC)[O-]

Isomeric SMILES

CCO/C(=C(\C=N\N1C=C[N+](=C1)CC2=CC=CC=C2)/C(=O)OCC)/[O-]

InChI

InChI=1S/C18H21N3O4/c1-3-24-17(22)16(18(23)25-4-2)12-19-21-11-10-20(14-21)13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3