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

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C16H14FN3O5 MolecularWeight: 347.297863

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2F

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C16H14FN3O5/c1-18-13-7-6-10(20(23)24)8-11(13)16(22)25-9-15(21)19-14-5-3-2-4-12(14)17/h2-8,18H,9H2,1H3,(H,19,21)