Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : 4P5

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
2	InChIKey	InChI	1.03	MMAIBGHDBYQYDI-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	O=C(O)c2cc1occc1n2
4	SMILES	CACTVS	3.341	OC(=O)c1[nH]c2ccoc2c1
5	SMILES	OpenEye OEToolkits	1.5.0	c1coc2c1[nH]c(c2)C(=O)O
6	Canonical SMILES	CACTVS	3.341	OC(=O)c1[nH]c2ccoc2c1
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	c1coc2c1[nH]c(c2)C(=O)O