2-bromanyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxylic acid

Systemtic Name: 2-bromanyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxylic acid Openeye Name: 2-bromo-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid CAS Name: 2-bromo-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid IUPAC Name: 2-bromo-4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid Traditional Name: 2-bromo-4-keto-1,5,6,7-tetrahydroindole-3-carboxylic acid Formula: C9H8BrNO3 MolecularWeight: 258.06872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(N2)Br)C(=O)O

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(N2)Br)C(=O)O

InChI

InChI=1S/C9H8BrNO3/c10-8-7(9(13)14)6-4(11-8)2-1-3-5(6)12/h11H,1-3H2,(H,13,14)