3-phenylpropyl 4-[2-(3-bromanyl-4-methoxy-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[2-(3-bromanyl-4-methoxy-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[2-(3-bromo-4-methoxy-benzoyl)hydrazino]-4-oxo-butanoate CAS Name: 4-[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(3-bromo-4-methoxybenzoyl)hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-(3-bromo-4-methoxy-benzoyl)hydrazino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCC(=O)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCC(=O)OCCCC2=CC=CC=C2)Br

InChI

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