3-(3,5-dinitrophenyl)carbonylazepan-2-one

Systemtic Name: 3-(3,5-dinitrophenyl)carbonylazepan-2-one Openeye Name: 3-(3,5-dinitrobenzoyl)azepan-2-one CAS Name: 3-[(3,5-dinitrophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-(3,5-dinitrobenzoyl)azepan-2-one Traditional Name: 3-(3,5-dinitrobenzoyl)azepan-2-one Formula: C13H13N3O6 MolecularWeight: 307.25882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6/c17-12(11-3-1-2-4-14-13(11)18)8-5-9(15(19)20)7-10(6-8)16(21)22/h5-7,11H,1-4H2,(H,14,18)