4-[[4-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(E)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid Formula: C19H16IN3O5 MolecularWeight: 493.25191

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CC#N)I)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)CC#N)I)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H16IN3O5/c1-27-16-9-13(10-22-23-17(24)6-7-21)8-15(20)18(16)28-11-12-2-4-14(5-3-12)19(25)26/h2-5,8-10H,6,11H2,1H3,(H,23,24)(H,25,26)/b22-10+