[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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