4-[(E)-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylhydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[4-(2-bromo-4-tert-butylphenoxy)butanoylhydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylhydrazono]methyl]benzoic acid Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NN=CC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C22H25BrN2O4/c1-22(2,3)17-10-11-19(18(23)13-17)29-12-4-5-20(26)25-24-14-15-6-8-16(9-7-15)21(27)28/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,26)(H,27,28)/b24-14+