5-bromanyl-1-butyl-7-methyl-indole-2,3-dione

Systemtic Name: 5-bromanyl-1-butyl-7-methyl-indole-2,3-dione Openeye Name: 5-bromo-1-butyl-7-methyl-indoline-2,3-dione CAS Name: 5-bromo-1-butyl-7-methylindole-2,3-dione IUPAC Name: 5-bromo-1-butyl-7-methylindole-2,3-dione Traditional Name: 5-bromo-1-butyl-7-methyl-isatin Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2C(=O)C1=O)Br)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2C(=O)C1=O)Br)C

InChI

InChI=1S/C13H14BrNO2/c1-3-4-5-15-11-8(2)6-9(14)7-10(11)12(16)13(15)17/h6-7H,3-5H2,1-2H3