phenethyl 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]hydrazinyl]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[2-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-4-oxo-butanoate CAS Name: 4-[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-[2-(4-bromo-2-methyl-phenoxy)acetyl]hydrazino]-4-keto-butyric acid phenethyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H23BrN2O5/c1-15-13-17(22)7-8-18(15)29-14-20(26)24-23-19(25)9-10-21(27)28-12-11-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,23,25)(H,24,26)