2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluoranylbenzoate; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluoranylbenzoate; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 4-fluorobenzoic acid 2-(3H-benzimidazol-1-ium-1-yl)ethyl ester; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 4-fluorobenzoic acid 2-(3H-benzimidazol-1-ium-1-yl)ethyl ester; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C20H17FN2O6 MolecularWeight: 400.357183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CCOC(=O)C3=CC=C(C=C3)F.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CCOC(=O)C3=CC=C(C=C3)F.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C16H13FN2O2.C4H4O4/c17-13-7-5-12(6-8-13)16(20)21-10-9-19-11-18-14-3-1-2-4-15(14)19;5-3(6)1-2-4(7)8/h1-8,11H,9-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1-