5-methyl-4-(phosphonomethyl)-1H-benzimidazole-2-carboxylic acid

Systemtic Name: 5-methyl-4-(phosphonomethyl)-1H-benzimidazole-2-carboxylic acid Openeye Name: 5-methyl-4-(phosphonomethyl)-1H-benzimidazole-2-carboxylic acid CAS Name: 5-methyl-4-(phosphonomethyl)-1H-benzimidazole-2-carboxylic acid IUPAC Name: 5-methyl-4-(phosphonomethyl)-1H-benzimidazole-2-carboxylic acid Traditional Name: 5-methyl-4-(phosphonomethyl)-1H-benzimidazole-2-carboxylic acid Formula: C10H11N2O5P MolecularWeight: 270.178501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=N2)C(=O)O)CP(=O)(O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=N2)C(=O)O)CP(=O)(O)O

InChI

InChI=1S/C10H11N2O5P/c1-5-2-3-7-8(6(5)4-18(15,16)17)12-9(11-7)10(13)14/h2-3H,4H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)