[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC(=CN1)C(=O)C

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC(=CN1)C(=O)C

InChI

InChI=1S/C13H16N2O4/c1-4-5-14-12(17)9(3)19-13(18)11-6-10(7-15-11)8(2)16/h4,6-7,9,15H,1,5H2,2-3H3,(H,14,17)