1-methyl-4-propanoyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-propanoyl-pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-propanoyl-pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-(1-oxopropyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-propanoylpyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-propionyl-pyrrole-2-carboxylic acid Formula: C9H11NO3 MolecularWeight: 181.18854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN(C(=C1)C(=O)O)C

Isomeric SMILES

CCC(=O)C1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(9(12)13)10(2)5-6/h4-5H,3H2,1-2H3,(H,12,13)