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 Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1Cl

InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,18H,2-3H2,1H3,(H,17,19)/b13-11-

InChIKey SXTQQPDWYZXAQK-QBFSEMIESA-N

Molecular Weight

276.72