methyl 4-[2-(3-iodanylphenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-(3-iodanylphenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(3-iodobenzoyl)hydrazino]-4-oxo-butanoate CAS Name: 4-[[(3-iodophenyl)-oxomethyl]hydrazo]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(3-iodobenzoyl)hydrazinyl]-4-oxobutanoate Traditional Name: 4-[N'-(3-iodobenzoyl)hydrazino]-4-keto-butyric acid methyl ester Formula: C12H13IN2O4 MolecularWeight: 376.14709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NNC(=O)C1=CC(=CC=C1)I

Isomeric SMILES

COC(=O)CCC(=O)NNC(=O)C1=CC(=CC=C1)I

InChI

InChI=1S/C12H13IN2O4/c1-19-11(17)6-5-10(16)14-15-12(18)8-3-2-4-9(13)7-8/h2-4,7H,5-6H2,1H3,(H,14,16)(H,15,18)