1-(3-azanyl-3-oxidanylidene-propyl)-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 1-(3-azanyl-3-oxidanylidene-propyl)-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 1-(3-amino-3-oxo-propyl)-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 1-(3-amino-3-oxopropyl)-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 1-(3-amino-3-oxopropyl)-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 1-(3-amino-3-keto-propyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCC(=O)N)C=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CCC(=O)N)C=CC(=C2)C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-7-14-9-6-8(12(17)18)2-3-10(9)15(7)5-4-11(13)16/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,17,18)