[2-oxidanylidene-2-(pentylamino)ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c1-2-3-4-7-13-10(15)8-19-12(16)9-5-6-11(20-9)14(17)18/h5-6H,2-4,7-8H2,1H3,(H,13,15)