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 O=[N+]([O-])c1cc2c3ccccc3nc-2c[nH]1

InChI InChI=1S/C11H7N3O2/c15-14(16)11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,12H

InChIKey YZBJLGYBBNTKKL-UHFFFAOYSA-N

Molecular Weight

213.2