O1-ethyl O3-methyl 5-iodanyl-4-methyl-2-(2-nitrophenyl)-6-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-methyl 5-iodanyl-4-methyl-2-(2-nitrophenyl)-6-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: O3-ethyl O1-methyl 4-hydroxy-5-iodo-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylate CAS Name: 4-hydroxy-5-iodo-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester IUPAC Name: 3-O-ethyl 1-O-methyl 4-hydroxy-5-iodo-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylate Traditional Name: 4-hydroxy-5-iodo-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester Formula: C18H16INO7 MolecularWeight: 485.22661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C)I)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C)I)O

InChI

InChI=1S/C18H16INO7/c1-4-27-18(23)14-13(10-7-5-6-8-11(10)20(24)25)12(17(22)26-3)9(2)15(19)16(14)21/h5-8,21H,4H2,1-3H3