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

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H12BrFN2O5 MolecularWeight: 411.179283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

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