[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(5-iodanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(5-iodanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(5-iodo-2-furyl)prop-2-enoate CAS Name: 3-(5-iodo-2-furanyl)-2-propenoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(5-iodofuran-2-yl)prop-2-enoate Traditional Name: 3-(5-iodo-2-furyl)acrylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H15IN2O4 MolecularWeight: 450.22717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C=CC2=CC=C(O2)I

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C=CC2=CC=C(O2)I

InChI

InChI=1S/C18H15IN2O4/c19-16-9-7-15(25-16)8-10-18(23)24-13-17(22)21(12-4-11-20)14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2