3-ethoxycarbonyl-2-ethyl-6,7-bis(fluoranyl)cinnolin-2-ium-4-olate

Systemtic Name: 3-ethoxycarbonyl-2-ethyl-6,7-bis(fluoranyl)cinnolin-2-ium-4-olate Openeye Name: 3-ethoxycarbonyl-2-ethyl-6,7-difluoro-cinnolin-2-ium-4-olate CAS Name: 3-ethoxycarbonyl-2-ethyl-6,7-difluoro-4-cinnolin-2-iumolate IUPAC Name: 3-ethoxycarbonyl-2-ethyl-6,7-difluorocinnolin-2-ium-4-olate Traditional Name: 3-carbethoxy-2-ethyl-6,7-difluoro-cinnolin-2-ium-4-olate Formula: C13H12F2N2O3 MolecularWeight: 282.242786

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC2=CC(=C(C=C2C(=C1C(=O)OCC)[O-])F)F

Isomeric SMILES

CC[N+]1=NC2=CC(=C(C=C2C(=C1C(=O)OCC)[O-])F)F

InChI

InChI=1S/C13H12F2N2O3/c1-3-17-11(13(19)20-4-2)12(18)7-5-8(14)9(15)6-10(7)16-17/h5-6H,3-4H2,1-2H3