[2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H18FN3O5 MolecularWeight: 375.351023

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CC=C2F

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CC=C2F

InChI

InChI=1S/C18H18FN3O5/c1-20-16-7-6-13(22(25)26)10-14(16)18(24)27-11-17(23)21-9-8-12-4-2-3-5-15(12)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,23)