[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-iodanylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-iodanylphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(2-iodobenzoyl)amino]acetate CAS Name: 2-[[(2-iodophenyl)-oxomethyl]amino]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate Traditional Name: 2-[(2-iodobenzoyl)amino]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H14IN3O4 MolecularWeight: 415.18313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)NCCC#N)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)OCC(=O)NCCC#N)I

InChI

InChI=1S/C14H14IN3O4/c15-11-5-2-1-4-10(11)14(21)18-8-13(20)22-9-12(19)17-7-3-6-16/h1-2,4-5H,3,7-9H2,(H,17,19)(H,18,21)