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 Cc1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1

InChI InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)11-6-12(18)14(16-7-11)15(21)17-8-13(19)20/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)

InChIKey VBNCAZJDNCXKIO-UHFFFAOYSA-N

Molecular Weight

286.29