4-[[2-bromanyl-4-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-4-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[(E)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[(E)-[(2-cyanoacetyl)hydrazono]methyl]phenoxy]methyl]benzoic acid Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)C=NNC(=O)CC#N)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)/C=N/NC(=O)CC#N)Br)C(=O)O

InChI

InChI=1S/C18H14BrN3O4/c19-15-9-13(10-21-22-17(23)7-8-20)3-6-16(15)26-11-12-1-4-14(5-2-12)18(24)25/h1-6,9-10H,7,11H2,(H,22,23)(H,24,25)/b21-10+