3-(2,4-dinitrophenyl)carbonylazepan-2-one

Systemtic Name: 3-(2,4-dinitrophenyl)carbonylazepan-2-one Openeye Name: 3-(2,4-dinitrobenzoyl)azepan-2-one CAS Name: 3-[(2,4-dinitrophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-(2,4-dinitrobenzoyl)azepan-2-one Traditional Name: 3-(2,4-dinitrobenzoyl)azepan-2-one Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6/c17-12(10-3-1-2-6-14-13(10)18)9-5-4-8(15(19)20)7-11(9)16(21)22/h4-5,7,10H,1-3,6H2,(H,14,18)