3-phenylpropyl 5-[2-(2-iodanylphenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[2-(2-iodanylphenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-(2-iodobenzoyl)hydrazino]-5-oxo-pentanoate CAS Name: 5-[[(2-iodophenyl)-oxomethyl]hydrazo]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-(2-iodobenzoyl)hydrazinyl]-5-oxopentanoate Traditional Name: 5-[N'-(2-iodobenzoyl)hydrazino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NNC(=O)C2=CC=CC=C2I

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NNC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C21H23IN2O4/c22-18-12-5-4-11-17(18)21(27)24-23-19(25)13-6-14-20(26)28-15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2,(H,23,25)(H,24,27)