[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H11IN2O3 MolecularWeight: 358.13181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11IN2O3/c1-2-5-15-11(16)7-18-12(17)9-6-8(13)3-4-10(9)14/h1,3-4,6H,5,7,14H2,(H,15,16)