4-(butanoylamino)-6-chloranyl-1H-benzimidazole-2-carboxylic acid

Systemtic Name: 4-(butanoylamino)-6-chloranyl-1H-benzimidazole-2-carboxylic acid Openeye Name: 4-(butanoylamino)-6-chloro-1H-benzimidazole-2-carboxylic acid CAS Name: 6-chloro-4-(1-oxobutylamino)-1H-benzimidazole-2-carboxylic acid IUPAC Name: 4-(butanoylamino)-6-chloro-1H-benzimidazole-2-carboxylic acid Traditional Name: 4-butyramido-6-chloro-1H-benzimidazole-2-carboxylic acid Formula: C12H12ClN3O3 MolecularWeight: 281.69498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C2C(=CC(=C1)Cl)NC(=N2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=C2C(=CC(=C1)Cl)NC(=N2)C(=O)O

InChI

InChI=1S/C12H12ClN3O3/c1-2-3-9(17)14-7-4-6(13)5-8-10(7)16-11(15-8)12(18)19/h4-5H,2-3H2,1H3,(H,14,17)(H,15,16)(H,18,19)