4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate

Systemtic Name: 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate Openeye Name: 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(3-methyl-1-oxobutyl)-1H-pyrrole-2-carboxylate IUPAC Name: 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-isovaleryl-1H-pyrrole-2-carboxylate Formula: C10H12NO3- MolecularWeight: 194.20718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CNC(=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)C1=CNC(=C1)C(=O)[O-]

InChI

InChI=1S/C10H13NO3/c1-6(2)3-9(12)7-4-8(10(13)14)11-5-7/h4-6,11H,3H2,1-2H3,(H,13,14)/p-1