[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-keto-ethyl] ester Formula: C28H21IN2O6 MolecularWeight: 608.38061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)I)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)I)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H21IN2O6/c1-34-21-11-5-17(6-12-21)25-23(15-30)27(37-26(25)18-7-13-22(35-2)14-8-18)31-24(32)16-36-28(33)19-3-9-20(29)10-4-19/h3-14H,16H2,1-2H3,(H,31,32)