[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C19H17FN2O7 MolecularWeight: 404.345883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN2O7/c1-3-28-18-7-4-12(8-16(18)22(26)27)19(25)29-10-17(24)14-6-5-13(9-15(14)20)21-11(2)23/h4-9H,3,10H2,1-2H3,(H,21,23)