3-phenylpropyl 4-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-[2-(4-bromo-2-chloro-phenoxy)acetyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[2-(4-bromo-2-chloro-phenoxy)acetyl]hydrazino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H22BrClN2O5 MolecularWeight: 497.76678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C21H22BrClN2O5/c22-16-8-9-18(17(23)13-16)30-14-20(27)25-24-19(26)10-11-21(28)29-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,24,26)(H,25,27)