2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)carbonyl]phenyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)carbonyl]phenyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(6-chloro-1,3-benzodioxole-5-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)-oxomethyl]phenyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(6-chloro-1,3-benzodioxole-5-carbonyl)phenyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(6-chloropiperonyloyl)phenyl]-3H-benzimidazole-5-carboxylic acid Formula: C22H13ClN2O5 MolecularWeight: 420.80202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)O)Cl

InChI

InChI=1S/C22H13ClN2O5/c23-15-9-19-18(29-10-30-19)8-14(15)20(26)11-1-3-12(4-2-11)21-24-16-6-5-13(22(27)28)7-17(16)25-21/h1-9H,10H2,(H,24,25)(H,27,28)