[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C16H13FN2O6 MolecularWeight: 348.282623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H13FN2O6/c1-24-14-7-6-12(19(22)23)8-13(14)16(21)25-9-15(20)18-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3,(H,18,20)