phenethyl 4-[2-(3-iodanyl-4-methoxy-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[2-(3-iodanyl-4-methoxy-phenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[2-(3-iodo-4-methoxy-benzoyl)hydrazino]-4-oxo-butanoate CAS Name: 4-[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[2-(3-iodo-4-methoxybenzoyl)hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-(3-iodo-4-methoxy-benzoyl)hydrazino]-4-keto-butyric acid phenethyl ester Formula: C20H21IN2O5 MolecularWeight: 496.29561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCC(=O)OCCC2=CC=CC=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)CCC(=O)OCCC2=CC=CC=C2)I

InChI

InChI=1S/C20H21IN2O5/c1-27-17-8-7-15(13-16(17)21)20(26)23-22-18(24)9-10-19(25)28-12-11-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,22,24)(H,23,26)