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(NO)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1

InChI

InChI=1S/C16H15N3O4/c20-11-7-5-10(6-8-11)14-9-13(17-19(14)16(22)18-23)12-3-1-2-4-15(12)21/h1-8,14,20-21,23H,9H2,(H,18,22)/t14-/m0/s1

InChIKey KFBWSDJVPXJVAM-AWEZNQCLSA-N

Molecular Weight

313.31