[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C15H9BrFN3O7 MolecularWeight: 442.150263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C15H9BrFN3O7/c16-10-3-1-8(5-12(10)19(23)24)15(22)27-7-14(21)18-9-2-4-11(17)13(6-9)20(25)26/h1-6H,7H2,(H,18,21)