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

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H17FN2O6 MolecularWeight: 376.335783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CC=C2F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CC=C2F

InChI

InChI=1S/C18H17FN2O6/c1-26-16-7-6-13(21(24)25)10-14(16)18(23)27-11-17(22)20-9-8-12-4-2-3-5-15(12)19/h2-7,10H,8-9,11H2,1H3,(H,20,22)