[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N(C)C)OC(=O)C1=CC(=CN1)C(=O)C

InChI

InChI=1S/C12H16N2O4/c1-7(15)9-5-10(13-6-9)12(17)18-8(2)11(16)14(3)4/h5-6,8,13H,1-4H3/t8-/m0/s1