2-[(E)-2-(3H-1,2-benzodioxol-6-yl)ethenyl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(3H-1,2-benzodioxol-6-yl)ethenyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[(E)-2-(3H-1,2-benzodioxol-6-yl)vinyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[(E)-2-(3H-1,2-benzodioxol-6-yl)ethenyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[(E)-2-(3H-1,2-benzodioxol-6-yl)ethenyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[(E)-2-(3H-1,2-benzodioxol-6-yl)vinyl]-1H-benzimidazole-4-carboxylic acid Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C=CC3=NC4=C(C=CC=C4N3)C(=O)O)OO1

Isomeric SMILES

C1C2=C(C=C(C=C2)/C=C/C3=NC4=C(C=CC=C4N3)C(=O)O)OO1

InChI

InChI=1S/C17H12N2O4/c20-17(21)12-2-1-3-13-16(12)19-15(18-13)7-5-10-4-6-11-9-22-23-14(11)8-10/h1-8H,9H2,(H,18,19)(H,20,21)/b7-5+