[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H19FN2O7 MolecularWeight: 454.404563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C23H19FN2O7/c1-31-19-12-17(18(26(29)30)13-20(19)32-2)23(28)33-21(14-6-4-3-5-7-14)22(27)25-16-10-8-15(24)9-11-16/h3-13,21H,1-2H3,(H,25,27)