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

Systemtic Name: 2-[(E)-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[4-(2-bromo-4-ethyl-phenoxy)butanoylhydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[4-(2-bromo-4-ethylphenoxy)butanoylhydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[4-(2-bromo-4-ethyl-phenoxy)butanoylhydrazono]methyl]benzoic acid Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NN=CC2=CC=CC=C2C(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)N/N=C/C2=CC=CC=C2C(=O)O)Br

InChI

InChI=1S/C20H21BrN2O4/c1-2-14-9-10-18(17(21)12-14)27-11-5-8-19(24)23-22-13-15-6-3-4-7-16(15)20(25)26/h3-4,6-7,9-10,12-13H,2,5,8,11H2,1H3,(H,23,24)(H,25,26)/b22-13+