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

Systemtic Name: O3-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H18FN3O7 MolecularWeight: 443.381923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C21H18FN3O7/c1-2-31-20(27)14-10-15(12-16(11-14)25(29)30)21(28)32-13-19(26)24(9-5-8-23)18-7-4-3-6-17(18)22/h3-4,6-7,10-12H,2,5,9,13H2,1H3