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

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

Systemtic Name:3-(2,3-dinitrophenyl)carbonylazepan-2-one
Openeye Name:3-(2,3-dinitrobenzoyl)azepan-2-one
CAS Name:3-[(2,3-dinitrophenyl)-oxomethyl]-2-azepanone
IUPAC Name:3-(2,3-dinitrobenzoyl)azepan-2-one
Traditional Name:3-(2,3-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(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

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


InChI

InChI=1S/C13H13N3O6/c17-12(9-4-1-2-7-14-13(9)18)8-5-3-6-10(15(19)20)11(8)16(21)22/h3,5-6,9H,1-2,4,7H2,(H,14,18)


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