4-[2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazino]-4-oxo-butanoic acid CAS Name: 4-[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-4-oxobutanoic acid IUPAC Name: 4-[2-[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid Traditional Name: 4-[N'-[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]hydrazino]-4-keto-butyric acid Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)CCC(=O)O)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=O)CCC(=O)O)Br

InChI

InChI=1S/C16H21BrN2O5/c1-16(2,3)10-4-5-12(11(17)8-10)24-9-14(21)19-18-13(20)6-7-15(22)23/h4-5,8H,6-7,9H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)