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=C(Nc1ccc(Cl)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1

InChI InChI=1S/C15H10ClN3O3/c16-10-4-6-11(7-5-10)17-15(20)12-8-9-2-1-3-13(19(21)22)14(9)18-12/h1-8,18H,(H,17,20)

InChIKey HAAKGZGPTZACGX-UHFFFAOYSA-N

Molecular Weight

315.72