ethyl (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-oxidanyl-prop-2-enoate

Systemtic Name: ethyl (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-oxidanyl-prop-2-enoate Openeye Name: ethyl (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-hydroxy-prop-2-enoate CAS Name: (E)-2-(2,3-dimethyl-1-benzimidazol-3-iumyl)-3-hydroxy-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-hydroxyprop-2-enoate Traditional Name: (E)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-hydroxy-acrylic acid ethyl ester Formula: C14H17N2O3+ MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CO)N1C(=[N+](C2=CC=CC=C21)C)C

Isomeric SMILES

CCOC(=O)/C(=C\O)/N1C(=[N+](C2=CC=CC=C21)C)C

InChI

InChI=1S/C14H16N2O3/c1-4-19-14(18)13(9-17)16-10(2)15(3)11-7-5-6-8-12(11)16/h5-9H,4H2,1-3H3/p+1