[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(4-iodophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(4-iodophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(4-iodophenyl)-4-oxo-butanoate CAS Name: 4-(4-iodophenyl)-4-oxobutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(4-iodophenyl)-4-oxobutanoate Traditional Name: 4-(4-iodophenyl)-4-keto-butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H14INO4 MolecularWeight: 399.18043

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)I

Isomeric SMILES

C#CCNC(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C15H14INO4/c1-2-9-17-14(19)10-21-15(20)8-7-13(18)11-3-5-12(16)6-4-11/h1,3-6H,7-10H2,(H,17,19)