[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C12H12N2O4/c1-3-4-13-11(16)7-18-12(17)10-5-9(6-14-10)8(2)15/h1,5-6,14H,4,7H2,2H3,(H,13,16)