1-(5-bromanyl-2-methyl-phenyl)azepane-2,7-dione

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)azepane-2,7-dione Openeye Name: 1-(5-bromo-2-methyl-phenyl)azepane-2,7-dione CAS Name: 1-(5-bromo-2-methylphenyl)azepane-2,7-dione IUPAC Name: 1-(5-bromo-2-methylphenyl)azepane-2,7-dione Traditional Name: 1-(5-bromo-2-methyl-phenyl)azepane-2,7-quinone Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)N2C(=O)CCCCC2=O

Isomeric SMILES

CC1=C(C=C(C=C1)Br)N2C(=O)CCCCC2=O

InChI

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