5-butanoyl-6-chloranyl-1-methyl-benzimidazole-2-carboxylic acid

Systemtic Name: 5-butanoyl-6-chloranyl-1-methyl-benzimidazole-2-carboxylic acid Openeye Name: 5-butanoyl-6-chloro-1-methyl-benzimidazole-2-carboxylic acid CAS Name: 6-chloro-1-methyl-5-(1-oxobutyl)-2-benzimidazolecarboxylic acid IUPAC Name: 5-butanoyl-6-chloro-1-methylbenzimidazole-2-carboxylic acid Traditional Name: 5-butyryl-6-chloro-1-methyl-benzimidazole-2-carboxylic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1Cl)N(C(=N2)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1Cl)N(C(=N2)C(=O)O)C

InChI

InChI=1S/C13H13ClN2O3/c1-3-4-11(17)7-5-9-10(6-8(7)14)16(2)12(15-9)13(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)