(E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-ethoxy-3-oxidanylidene-3-phenyl-prop-1-en-1-olate

Systemtic Name: (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-ethoxy-3-oxidanylidene-3-phenyl-prop-1-en-1-olate Openeye Name: (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-ethoxy-3-oxo-3-phenyl-prop-1-en-1-olate CAS Name: (E)-2-(2,3-dimethyl-1-benzimidazol-3-iumyl)-1-ethoxy-3-oxo-3-phenyl-1-propen-1-olate IUPAC Name: (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-ethoxy-3-oxo-3-phenylprop-1-en-1-olate Traditional Name: (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-1-ethoxy-3-keto-3-phenyl-prop-1-en-1-olate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CC=CC=C1)N2C(=[N+](C3=CC=CC=C32)C)C)[O-]

Isomeric SMILES

CCO/C(=C(\C(=O)C1=CC=CC=C1)/N2C(=[N+](C3=CC=CC=C32)C)C)/[O-]

InChI

InChI=1S/C20H20N2O3/c1-4-25-20(24)18(19(23)15-10-6-5-7-11-15)22-14(2)21(3)16-12-8-9-13-17(16)22/h5-13H,4H2,1-3H3