ethyl (E)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-4-ethoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: ethyl (E)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-4-ethoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: ethyl (E)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-4-ethoxy-4-hydroxy-2-oxo-but-3-enoate CAS Name: (E)-3-(2,3-dimethyl-1-benzimidazol-3-iumyl)-4-ethoxy-4-hydroxy-2-oxo-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-4-ethoxy-4-hydroxy-2-oxobut-3-enoate Traditional Name: (E)-3-(2,3-dimethylbenzimidazol-3-ium-1-yl)-4-ethoxy-4-hydroxy-2-keto-but-3-enoic acid ethyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-5-23-16(21)14(15(20)17(22)24-6-2)19-11(3)18(4)12-9-7-8-10-13(12)19/h7-10H,5-6H2,1-4H3/p+1