[(1S)-2-oxidanylidenecyclohexyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OC2CCCCC2=O

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)O[C@H]2CCCCC2=O

InChI

InChI=1S/C13H15NO4/c1-8(15)9-6-10(14-7-9)13(17)18-12-5-3-2-4-11(12)16/h6-7,12,14H,2-5H2,1H3/t12-/m0/s1