1-(4-bromanyl-3-methyl-phenyl)azepane-2,7-dione

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)azepane-2,7-dione Openeye Name: 1-(4-bromo-3-methyl-phenyl)azepane-2,7-dione CAS Name: 1-(4-bromo-3-methylphenyl)azepane-2,7-dione IUPAC Name: 1-(4-bromo-3-methylphenyl)azepane-2,7-dione Traditional Name: 1-(4-bromo-3-methyl-phenyl)azepane-2,7-quinone Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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