5-bromanyl-1-ethyl-3H-indole-2,2-dicarboxylic acid

Systemtic Name: 5-bromanyl-1-ethyl-3H-indole-2,2-dicarboxylic acid Openeye Name: 5-bromo-1-ethyl-indoline-2,2-dicarboxylic acid CAS Name: 5-bromo-1-ethyl-3H-indole-2,2-dicarboxylic acid IUPAC Name: 5-bromo-1-ethyl-3H-indole-2,2-dicarboxylic acid Traditional Name: 5-bromo-1-ethyl-indoline-2,2-dicarboxylic acid Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC1(C(=O)O)C(=O)O)C=C(C=C2)Br

Isomeric SMILES

CCN1C2=C(CC1(C(=O)O)C(=O)O)C=C(C=C2)Br

InChI

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