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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN2O7/c1-2-28-18(24)13-7-14(9-16(8-13)22(26)27)19(25)29-11-17(23)21-10-12-3-5-15(20)6-4-12/h3-9H,2,10-11H2,1H3,(H,21,23)