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

Systemtic Name: O1-ethyl O3-[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17FN2O7 MolecularWeight: 404.345883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O7/c1-3-28-18(24)12-8-13(10-16(9-12)22(26)27)19(25)29-11(2)17(23)21-15-6-4-14(20)5-7-15/h4-11H,3H2,1-2H3,(H,21,23)