[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C16H12BrFN2O5 MolecularWeight: 411.179283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C16H12BrFN2O5/c1-9-2-4-11(20(23)24)7-14(9)19-15(21)8-25-16(22)12-6-10(17)3-5-13(12)18/h2-7H,8H2,1H3,(H,19,21)