ethyl 4-(4-bromanyl-3-nitro-pyrazol-1-yl)-2,3,5,6-tetrakis(fluoranyl)benzoate

Systemtic Name: ethyl 4-(4-bromanyl-3-nitro-pyrazol-1-yl)-2,3,5,6-tetrakis(fluoranyl)benzoate Openeye Name: ethyl 4-(4-bromo-3-nitro-pyrazol-1-yl)-2,3,5,6-tetrafluoro-benzoate CAS Name: 4-(4-bromo-3-nitro-1-pyrazolyl)-2,3,5,6-tetrafluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-3-nitropyrazol-1-yl)-2,3,5,6-tetrafluorobenzoate Traditional Name: 4-(4-bromo-3-nitro-pyrazol-1-yl)-2,3,5,6-tetrafluoro-benzoic acid ethyl ester Formula: C12H6BrF4N3O4 MolecularWeight: 412.091353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1F)F)N2C=C(C(=N2)[N+](=O)[O-])Br)F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1F)F)N2C=C(C(=N2)[N+](=O)[O-])Br)F)F

InChI

InChI=1S/C12H6BrF4N3O4/c1-2-24-12(21)5-6(14)8(16)10(9(17)7(5)15)19-3-4(13)11(18-19)20(22)23/h3H,2H2,1H3