3-bromanyl-5-nitro-thiophene-2-carboxylate

Systemtic Name: 3-bromanyl-5-nitro-thiophene-2-carboxylate Openeye Name: 3-bromo-5-nitro-thiophene-2-carboxylate CAS Name: 3-bromo-5-nitro-2-thiophenecarboxylate IUPAC Name: 3-bromo-5-nitrothiophene-2-carboxylate Traditional Name: 3-bromo-5-nitro-2-thenoate Formula: C5HBrNO4S- MolecularWeight: 251.03474

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1Br)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(SC(=C1Br)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H2BrNO4S/c6-2-1-3(7(10)11)12-4(2)5(8)9/h1H,(H,8,9)/p-1