[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-iodanylbenzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H13IN2O4 MolecularWeight: 388.15779

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)I

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)I

InChI

InChI=1S/C13H13IN2O4/c1-2-6-15-13(19)16-11(17)8-20-12(18)9-4-3-5-10(14)7-9/h2-5,7H,1,6,8H2,(H2,15,16,17,19)