2-[5-bromanyl-4-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-bromanyl-4-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-bromo-4-[(E)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-bromo-4-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-bromo-4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-methoxy-phenoxy]acetic acid Formula: C13H12BrN3O5 MolecularWeight: 370.15548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=NNC(=O)CC#N)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=N/NC(=O)CC#N)Br)OCC(=O)O

InChI

InChI=1S/C13H12BrN3O5/c1-21-10-4-8(6-16-17-12(18)2-3-15)9(14)5-11(10)22-7-13(19)20/h4-6H,2,7H2,1H3,(H,17,18)(H,19,20)/b16-6+