1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]benzimidazole-5-carboxylate

Systemtic Name: 1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]benzimidazole-5-carboxylate Openeye Name: 1-[2-(2-cyanoethylamino)-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]-5-benzimidazolecarboxylate IUPAC Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]benzimidazole-5-carboxylate Traditional Name: 1-[2-(2-cyanoethylamino)-2-keto-ethyl]benzimidazole-5-carboxylate Formula: C13H11N4O3- MolecularWeight: 271.25144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)[O-])N=CN2CC(=O)NCCC#N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)[O-])N=CN2CC(=O)NCCC#N

InChI

InChI=1S/C13H12N4O3/c14-4-1-5-15-12(18)7-17-8-16-10-6-9(13(19)20)2-3-11(10)17/h2-3,6,8H,1,5,7H2,(H,15,18)(H,19,20)/p-1