(4-ethanoylphenyl) 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-ethanoylphenyl) 5-nitrothiophene-2-carboxylate Openeye Name: (4-acetylphenyl) 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-acetylphenyl) ester Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO5S/c1-8(15)9-2-4-10(5-3-9)19-13(16)11-6-7-12(20-11)14(17)18/h2-7H,1H3