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

Systemtic Name: 4-[(E)-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[4-(2-bromo-4-ethyl-phenoxy)butanoylhydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[4-(2-bromo-4-ethylphenoxy)butanoylhydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4/c1-2-14-7-10-18(17(21)12-14)27-11-3-4-19(24)23-22-13-15-5-8-16(9-6-15)20(25)26/h5-10,12-13H,2-4,11H2,1H3,(H,23,24)(H,25,26)/b22-13+