phenacyl 5-nitrothiophene-2-carboxylate

Systemtic Name: phenacyl 5-nitrothiophene-2-carboxylate Openeye Name: phenacyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid phenacyl ester IUPAC Name: phenacyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid phenacyl ester Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO5S/c15-10(9-4-2-1-3-5-9)8-19-13(16)11-6-7-12(20-11)14(17)18/h1-7H,8H2