(E)-2-(2-chloranyl-5-fluoranyl-4-nitro-phenyl)-1-methoxy-2-pyridin-1-ium-1-yl-ethenolate

Systemtic Name: (E)-2-(2-chloranyl-5-fluoranyl-4-nitro-phenyl)-1-methoxy-2-pyridin-1-ium-1-yl-ethenolate Openeye Name: (E)-2-(2-chloro-5-fluoro-4-nitro-phenyl)-1-methoxy-2-pyridin-1-ium-1-yl-ethenolate CAS Name: (E)-2-(2-chloro-5-fluoro-4-nitrophenyl)-1-methoxy-2-(1-pyridin-1-iumyl)ethenolate IUPAC Name: (E)-2-(2-chloro-5-fluoro-4-nitrophenyl)-1-methoxy-2-pyridin-1-ium-1-ylethenolate Traditional Name: (E)-2-(2-chloro-5-fluoro-4-nitro-phenyl)-1-methoxy-2-pyridin-1-ium-1-yl-ethenolate Formula: C14H10ClFN2O4 MolecularWeight: 324.691603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C1=CC(=C(C=C1Cl)[N+](=O)[O-])F)[N+]2=CC=CC=C2)[O-]

Isomeric SMILES

CO/C(=C(\C1=CC(=C(C=C1Cl)[N+](=O)[O-])F)/[N+]2=CC=CC=C2)/[O-]

InChI

InChI=1S/C14H10ClFN2O4/c1-22-14(19)13(17-5-3-2-4-6-17)9-7-11(16)12(18(20)21)8-10(9)15/h2-8H,1H3/b14-13+