(5S)-5-(1H-benzimidazol-2-yl)-5-cyano-4-oxidanylidene-pentanoate

Systemtic Name: (5S)-5-(1H-benzimidazol-2-yl)-5-cyano-4-oxidanylidene-pentanoate Openeye Name: (5S)-5-(1H-benzimidazol-2-yl)-5-cyano-4-oxo-pentanoate CAS Name: (5S)-5-(1H-benzimidazol-2-yl)-5-cyano-4-oxopentanoate IUPAC Name: (5S)-5-(1H-benzimidazol-2-yl)-5-cyano-4-oxopentanoate Traditional Name: (5S)-5-(1H-benzimidazol-2-yl)-5-cyano-4-keto-valerate Formula: C13H10N3O3- MolecularWeight: 256.2368

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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@H](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)/p-1/t8-/m1/s1