Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES Cn1c(/C=C/C(=O)NO)ccc1C(=O)Cc1ccccc1

InChI InChI=1S/C16H16N2O3/c1-18-13(8-10-16(20)17-21)7-9-14(18)15(19)11-12-5-3-2-4-6-12/h2-10,21H,11H2,1H3,(H,17,20)/b10-8+

InChIKey YYAOCLJWLGXHIZ-CSKARUKUSA-N

Molecular Weight

284.31