O3-[4-(4-fluorophenyl)-4-oxidanylidene-butyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[4-(4-fluorophenyl)-4-oxidanylidene-butyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[4-(4-fluorophenyl)-4-oxo-butyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-(4-fluorophenyl)-4-oxobutyl] ester O1-methyl ester IUPAC Name: 3-O-[4-(4-fluorophenyl)-4-oxobutyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-(4-fluorophenyl)-4-keto-butyl] ester O1-methyl ester Formula: C19H16FNO7 MolecularWeight: 389.331243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FNO7/c1-27-18(23)13-9-14(11-16(10-13)21(25)26)19(24)28-8-2-3-17(22)12-4-6-15(20)7-5-12/h4-7,9-11H,2-3,8H2,1H3