methyl 2-[1-(4-iodophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(4-iodophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(4-iodobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-iodophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-iodobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-iodobenzoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H15IN2O4 MolecularWeight: 402.18437

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H15IN2O4/c1-21-12(18)8-11-13(19)16-6-7-17(11)14(20)9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H,16,19)