5-bromanyl-2-(2-butanoylphenyl)isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-(2-butanoylphenyl)isoindole-1,3-dione Openeye Name: 5-bromo-2-(2-butanoylphenyl)isoindoline-1,3-dione CAS Name: 5-bromo-2-[2-(1-oxobutyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-(2-butanoylphenyl)isoindole-1,3-dione Traditional Name: 5-bromo-2-(2-butyrylphenyl)isoindoline-1,3-quinone Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO3/c1-2-5-16(21)13-6-3-4-7-15(13)20-17(22)12-9-8-11(19)10-14(12)18(20)23/h3-4,6-10H,2,5H2,1H3