[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furoylamino)-4,5-dimethoxy-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C22H19IN2O7 MolecularWeight: 550.29993

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)NC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)I)NC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C22H19IN2O7/c1-29-18-10-15(16(11-19(18)30-2)25-21(27)17-7-4-8-31-17)22(28)32-12-20(26)24-14-6-3-5-13(23)9-14/h3-11H,12H2,1-2H3,(H,24,26)(H,25,27)