O3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester O1-methyl ester Formula: C17H12BrFN2O7 MolecularWeight: 455.188783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN2O7/c1-27-16(23)9-4-10(6-12(5-9)21(25)26)17(24)28-8-15(22)20-14-3-2-11(18)7-13(14)19/h2-7H,8H2,1H3,(H,20,22)