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

Systemtic Name: O1-ethyl O3-[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H21FN2O7 MolecularWeight: 432.399043

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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)NC(C)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O7/c1-4-30-20(26)15-9-16(11-18(10-15)24(28)29)21(27)31-13(3)19(25)23-12(2)14-5-7-17(22)8-6-14/h5-13H,4H2,1-3H3,(H,23,25)