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

Systemtic Name: O1-ethyl O3-[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H19FN2O7 MolecularWeight: 418.372463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN2O7/c1-3-29-19(25)14-8-15(10-17(9-14)23(27)28)20(26)30-12-18(24)22(2)11-13-5-4-6-16(21)7-13/h4-10H,3,11-12H2,1-2H3