O1-tert-butyl O2-ethyl 5-bromanylindole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 5-bromanylindole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 5-bromoindole-1,2-dicarboxylate CAS Name: 5-bromoindole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 5-bromoindole-1,2-dicarboxylate Traditional Name: 5-bromoindole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Br

InChI

InChI=1S/C16H18BrNO4/c1-5-21-14(19)13-9-10-8-11(17)6-7-12(10)18(13)15(20)22-16(2,3)4/h6-9H,5H2,1-4H3