1-(4-chlorophenyl)carbonylazepane-4,5-dione

Systemtic Name: 1-(4-chlorophenyl)carbonylazepane-4,5-dione Openeye Name: 1-(4-chlorobenzoyl)azepane-4,5-dione CAS Name: 1-[(4-chlorophenyl)-oxomethyl]azepane-4,5-dione IUPAC Name: 1-(4-chlorobenzoyl)azepane-4,5-dione Traditional Name: 1-(4-chlorobenzoyl)azepane-4,5-quinone Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC(=O)C1=O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CCC(=O)C1=O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClNO3/c14-10-3-1-9(2-4-10)13(18)15-7-5-11(16)12(17)6-8-15/h1-4H,5-8H2