3-[[2-bromanyl-4-[[(2-chloranylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-bromanyl-4-[[(2-chloranylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazono]methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[2-bromo-4-[[[(2-chloro-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[2-bromo-4-[[(2-chloronicotinoyl)hydrazono]methyl]phenoxy]methyl]benzoic acid Formula: C21H15BrClN3O4 MolecularWeight: 488.7185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=NNC(=O)C3=C(N=CC=C3)Cl)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=NNC(=O)C3=C(N=CC=C3)Cl)Br)C(=O)O

InChI

InChI=1S/C21H15BrClN3O4/c22-17-10-13(11-25-26-20(27)16-5-2-8-24-19(16)23)6-7-18(17)30-12-14-3-1-4-15(9-14)21(28)29/h1-11H,12H2,(H,26,27)(H,28,29)