3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=NC=C3C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=NC=C3C(=O)O)Cl

InChI

InChI=1S/C12H9ClN2O4/c13-8-2-11-10(18-6-19-11)1-7(8)4-15-5-14-3-9(15)12(16)17/h1-3,5H,4,6H2,(H,16,17)