O3-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C20H16FN3O7 MolecularWeight: 429.355343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O7/c1-30-19(26)13-9-14(11-17(10-13)24(28)29)20(27)31-12-18(25)23(8-2-7-22)16-5-3-15(21)4-6-16/h3-6,9-11H,2,8,12H2,1H3