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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

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