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

Systemtic Name: O1-ethyl O3-[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H16FN3O9 MolecularWeight: 449.343443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O9/c1-3-31-18(25)11-6-12(8-14(7-11)22(27)28)19(26)32-10(2)17(24)21-13-4-5-15(20)16(9-13)23(29)30/h4-10H,3H2,1-2H3,(H,21,24)/t10-/m1/s1