[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C10H8N2O5S MolecularWeight: 268.24592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O5S/c1-2-5-11-8(13)6-17-10(14)7-3-4-9(18-7)12(15)16/h1,3-4H,5-6H2,(H,11,13)