4,5-bis[(3-iodanylphenyl)amino]-2-methoxycarbonyl-benzoic acid

Systemtic Name: 4,5-bis[(3-iodanylphenyl)amino]-2-methoxycarbonyl-benzoic acid Openeye Name: 4,5-bis(3-iodoanilino)-2-methoxycarbonyl-benzoic acid CAS Name: 4,5-bis(3-iodoanilino)-2-methoxycarbonylbenzoic acid IUPAC Name: 4,5-bis(3-iodoanilino)-2-methoxycarbonylbenzoic acid Traditional Name: 2-carbomethoxy-4,5-bis(3-iodoanilino)benzoic acid Formula: C21H16I2N2O4 MolecularWeight: 614.17168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C(=O)O)NC2=CC(=CC=C2)I)NC3=CC(=CC=C3)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C(=O)O)NC2=CC(=CC=C2)I)NC3=CC(=CC=C3)I

InChI

InChI=1S/C21H16I2N2O4/c1-29-21(28)17-11-19(25-15-7-3-5-13(23)9-15)18(10-16(17)20(26)27)24-14-6-2-4-12(22)8-14/h2-11,24-25H,1H3,(H,26,27)