dimethyl 5-bromanyl-1,3-dihydroindole-2,2-dicarboxylate

Systemtic Name: dimethyl 5-bromanyl-1,3-dihydroindole-2,2-dicarboxylate Openeye Name: dimethyl 5-bromoindoline-2,2-dicarboxylate CAS Name: 5-bromo-1,3-dihydroindole-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-bromo-1,3-dihydroindole-2,2-dicarboxylate Traditional Name: 5-bromoindoline-2,2-dicarboxylic acid dimethyl ester Formula: C12H12BrNO4 MolecularWeight: 314.13198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=C(N1)C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC2=C(N1)C=CC(=C2)Br)C(=O)OC

InChI

InChI=1S/C12H12BrNO4/c1-17-10(15)12(11(16)18-2)6-7-5-8(13)3-4-9(7)14-12/h3-5,14H,6H2,1-2H3