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

Systemtic Name: 1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]benzimidazole-5-carboxylate Openeye Name: 1-[2-oxo-2-(prop-2-ynylamino)ethyl]benzimidazole-5-carboxylate CAS Name: 1-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-benzimidazolecarboxylate IUPAC Name: 1-[2-oxo-2-(prop-2-ynylamino)ethyl]benzimidazole-5-carboxylate Traditional Name: 1-[2-keto-2-(propargylamino)ethyl]benzimidazole-5-carboxylate Formula: C13H10N3O3- MolecularWeight: 256.2368

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1C=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

C#CCNC(=O)CN1C=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H11N3O3/c1-2-5-14-12(17)7-16-8-15-10-6-9(13(18)19)3-4-11(10)16/h1,3-4,6,8H,5,7H2,(H,14,17)(H,18,19)/p-1