[2-[4-[5-(4-methoxyphenyl)-1,2,3-triazol-1-yl]phenyl]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[4-[5-(4-methoxyphenyl)-1,2,3-triazol-1-yl]phenyl]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[4-[5-(4-methoxyphenyl)-1-triazolyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]ethyl] ester Formula: C24H18IN3O4 MolecularWeight: 539.32189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)COC(=O)C4=CC(=CC=C4)I

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)C(=O)COC(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C24H18IN3O4/c1-31-21-11-7-16(8-12-21)22-14-26-27-28(22)20-9-5-17(6-10-20)23(29)15-32-24(30)18-3-2-4-19(25)13-18/h2-14H,15H2,1H3