3-[5-[(E)-[(5-bromanyl-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-[(5-bromanyl-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-[(5-bromobenzofuran-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-[[(5-bromo-2-benzofuranyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-[(5-bromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-[(5-bromobenzofuran-2-carbonyl)hydrazono]methyl]-2-furyl]benzoic acid Formula: C21H13BrN2O5 MolecularWeight: 453.24232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H13BrN2O5/c22-15-4-6-18-14(9-15)10-19(29-18)20(25)24-23-11-16-5-7-17(28-16)12-2-1-3-13(8-12)21(26)27/h1-11H,(H,24,25)(H,26,27)/b23-11+