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

Systemtic Name: O3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester O1-methyl ester Formula: C23H17FN2O7 MolecularWeight: 452.388683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C23H17FN2O7/c1-32-22(28)15-11-16(13-19(12-15)26(30)31)23(29)33-20(14-5-3-2-4-6-14)21(27)25-18-9-7-17(24)8-10-18/h2-13,20H,1H3,(H,25,27)