1-(2-oxidanylidenepropyl)-5-phenyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-(2-oxidanylidenepropyl)-5-phenyl-pyrrole-2-carboxylic acid Openeye Name: 1-acetonyl-5-phenyl-pyrrole-2-carboxylic acid CAS Name: 1-(2-oxopropyl)-5-phenyl-2-pyrrolecarboxylic acid IUPAC Name: 1-(2-oxopropyl)-5-phenylpyrrole-2-carboxylic acid Traditional Name: 1-acetonyl-5-phenyl-pyrrole-2-carboxylic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=CC=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CN1C(=CC=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO3/c1-10(16)9-15-12(7-8-13(15)14(17)18)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)