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=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1

InChI InChI=1S/C15H12N2O4/c18-7-9-5-12(20)6-13-14(9)15(21)17(8-16-13)10-1-3-11(19)4-2-10/h1-6,8,18-20H,7H2

InChIKey ZPKUQXYUNFFPKO-UHFFFAOYSA-N

Molecular Weight

284.27