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

Systemtic Name: 3-[[4-[[(2-chloranylpyridin-3-yl)carbonylhydrazinylidene]methyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[[(2-chloropyridine-3-carbonyl)hydrazono]methyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[[[(2-chloro-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[[(2-chloronicotinoyl)hydrazono]methyl]phenoxy]methyl]benzoic acid Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O4/c22-19-18(5-2-10-23-19)20(26)25-24-12-14-6-8-17(9-7-14)29-13-15-3-1-4-16(11-15)21(27)28/h1-12H,13H2,(H,25,26)(H,27,28)