1-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]benzimidazole-5-carboxylic acid CAS Name: 1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-(propargylamino)ethyl]benzimidazole-5-carboxylic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)N1C=NC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)N1C=NC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C14H13N3O3/c1-3-6-15-13(18)9(2)17-8-16-11-7-10(14(19)20)4-5-12(11)17/h1,4-5,7-9H,6H2,2H3,(H,15,18)(H,19,20)