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

Systemtic Name: 4-[(E)-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazono]methyl]benzoic acid Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4/c1-20(2,3)15-8-9-17(16(21)10-15)27-12-18(24)23-22-11-13-4-6-14(7-5-13)19(25)26/h4-11H,12H2,1-3H3,(H,23,24)(H,25,26)/b22-11+