4-[2-[(E)-[(5-bromanyl-7-iodanyl-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-[(5-bromanyl-7-iodanyl-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(E)-[(5-bromo-7-iodo-benzofuran-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(E)-[[(5-bromo-7-iodo-2-benzofuranyl)-oxomethyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(E)-[(5-bromo-7-iodo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(E)-[(5-bromo-7-iodo-benzofuran-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid Formula: C21H13BrIN3O4 MolecularWeight: 578.15409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=NNC(=O)C2=CC3=CC(=CC(=C3O2)I)Br)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)/C=N/NC(=O)C2=CC3=CC(=CC(=C3O2)I)Br)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13BrIN3O4/c22-14-8-13-9-18(30-19(13)17(23)10-14)20(27)25-24-11-16-2-1-7-26(16)15-5-3-12(4-6-15)21(28)29/h1-11H,(H,25,27)(H,28,29)/b24-11+