7-(3-chlorophenyl)carbonylazepan-2-one; 7-(4-nitrophenyl)carbonylazepan-2-one

Systemtic Name: 7-(3-chlorophenyl)carbonylazepan-2-one; 7-(4-nitrophenyl)carbonylazepan-2-one Openeye Name: 7-(3-chlorobenzoyl)azepan-2-one; 7-(4-nitrobenzoyl)azepan-2-one CAS Name: 7-[(3-chlorophenyl)-oxomethyl]-2-azepanone; 7-[(4-nitrophenyl)-oxomethyl]-2-azepanone IUPAC Name: 7-(3-chlorobenzoyl)azepan-2-one; 7-(4-nitrobenzoyl)azepan-2-one Traditional Name: 7-(3-chlorobenzoyl)azepan-2-one; 7-(4-nitrobenzoyl)azepan-2-one Formula: C26H28ClN3O6 MolecularWeight: 513.97002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].C1CCC(=O)NC(C1)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CCC(=O)NC(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].C1CCC(=O)NC(C1)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H14ClNO2.C13H14N2O4/c14-10-5-3-4-9(8-10)13(17)11-6-1-2-7-12(16)15-11;16-12-4-2-1-3-11(14-12)13(17)9-5-7-10(8-6-9)15(18)19/h3-5,8,11H,1-2,6-7H2,(H,15,16);5-8,11H,1-4H2,(H,14,16)