5-(1H-benzimidazol-2-yl)-5-cyano-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1H-benzimidazol-2-yl)-5-cyano-4-oxidanylidene-pentanoic acid Openeye Name: 5-(1H-benzimidazol-2-yl)-5-cyano-4-oxo-pentanoic acid CAS Name: 5-(1H-benzimidazol-2-yl)-5-cyano-4-oxopentanoic acid IUPAC Name: 5-(1H-benzimidazol-2-yl)-5-cyano-4-oxopentanoic acid Traditional Name: 5-(1H-benzimidazol-2-yl)-5-cyano-4-keto-valeric acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)CCC(=O)O

InChI

InChI=1S/C13H11N3O3/c14-7-8(11(17)5-6-12(18)19)13-15-9-3-1-2-4-10(9)16-13/h1-4,8H,5-6H2,(H,15,16)(H,18,19)