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

Systemtic Name: O3-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester O1-methyl ester Formula: C17H12FN3O9 MolecularWeight: 421.290283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12FN3O9/c1-29-16(23)9-4-10(6-12(5-9)20(25)26)17(24)30-8-15(22)19-11-2-3-13(18)14(7-11)21(27)28/h2-7H,8H2,1H3,(H,19,22)