O1-tert-butyl O3-methyl 4-iodanylindole-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl 4-iodanylindole-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl 4-iodoindole-1,3-dicarboxylate CAS Name: 4-iodoindole-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl 4-iodoindole-1,3-dicarboxylate Traditional Name: 4-iodoindole-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C15H16INO4 MolecularWeight: 401.19631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2I)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2I)C(=O)OC

InChI

InChI=1S/C15H16INO4/c1-15(2,3)21-14(19)17-8-9(13(18)20-4)12-10(16)6-5-7-11(12)17/h5-8H,1-4H3