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 Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1

InChI InChI=1S/C15H12N2O4/c1-8-16-12-6-11(19)7-13(20)14(12)15(21)17(8)9-2-4-10(18)5-3-9/h2-7,18-20H,1H3

InChIKey HWVMDDZTSAEFOA-UHFFFAOYSA-N

Molecular Weight

284.27