3-(2-oxidanylidenepropyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-oxidanylidenepropyl)-1H-indole-2-carboxylic acid Openeye Name: 3-acetonyl-1H-indole-2-carboxylic acid CAS Name: 3-(2-oxopropyl)-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-oxopropyl)-1H-indole-2-carboxylic acid Traditional Name: 3-acetonyl-1H-indole-2-carboxylic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=C(NC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(=O)CC1=C(NC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H11NO3/c1-7(14)6-9-8-4-2-3-5-10(8)13-11(9)12(15)16/h2-5,13H,6H2,1H3,(H,15,16)