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

Systemtic Name: 4-[2-[(E)-[(5-bromanyl-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(E)-[(5-bromobenzofuran-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(E)-[[(5-bromo-2-benzofuranyl)-oxomethyl]hydrazinylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(E)-[(5-bromo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(E)-[(5-bromobenzofuran-2-carbonyl)hydrazono]methyl]pyrrol-1-yl]benzoic acid Formula: C21H14BrN3O4 MolecularWeight: 452.25756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)/C=N/NC(=O)C2=CC3=C(O2)C=CC(=C3)Br)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14BrN3O4/c22-15-5-8-18-14(10-15)11-19(29-18)20(26)24-23-12-17-2-1-9-25(17)16-6-3-13(4-7-16)21(27)28/h1-12H,(H,24,26)(H,27,28)/b23-12+