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

Systemtic Name: O1-ethyl O3-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14FN3O9 MolecularWeight: 435.316863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FN3O9/c1-2-30-17(24)10-5-11(7-13(6-10)21(26)27)18(25)31-9-16(23)20-12-3-4-14(19)15(8-12)22(28)29/h3-8H,2,9H2,1H3,(H,20,23)