5-bromanyl-1H-indole-2,3-dione hydrate

Systemtic Name: 5-bromanyl-1H-indole-2,3-dione hydrate Openeye Name: 5-bromoindoline-2,3-dione hydrate CAS Name: 5-bromo-1H-indole-2,3-dione hydrate IUPAC Name: 5-bromo-1H-indole-2,3-dione hydrate Traditional Name: 5-bromoisatin hydrate Formula: C8H6BrNO3 MolecularWeight: 244.04214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=O)C(=O)N2.O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=O)C(=O)N2.O

InChI

InChI=1S/C8H4BrNO2.H2O/c9-4-1-2-6-5(3-4)7(11)8(12)10-6;/h1-3H,(H,10,11,12);1H2