4-chloranyl-1,3-benzoxazole-6-carboxylic acid

Systemtic Name: 4-chloranyl-1,3-benzoxazole-6-carboxylic acid Openeye Name: 4-chloro-1,3-benzoxazole-6-carboxylic acid CAS Name: 4-chloro-1,3-benzoxazole-6-carboxylic acid IUPAC Name: 4-chloro-1,3-benzoxazole-6-carboxylic acid Traditional Name: 4-chloro-1,3-benzoxazole-6-carboxylic acid Formula: C8H4ClNO3 MolecularWeight: 197.57526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1OC=N2)Cl)C(=O)O

Isomeric SMILES

C1=C(C=C(C2=C1OC=N2)Cl)C(=O)O

InChI

InChI=1S/C8H4ClNO3/c9-5-1-4(8(11)12)2-6-7(5)10-3-13-6/h1-3H,(H,11,12)