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1-(4-nitrophenyl)azepane-2,7-dione

1-(4-nitrophenyl)azepane-2,7-dione

Systemtic Name:1-(4-nitrophenyl)azepane-2,7-dione
Openeye Name:1-(4-nitrophenyl)azepane-2,7-dione
CAS Name:1-(4-nitrophenyl)azepane-2,7-dione
IUPAC Name:1-(4-nitrophenyl)azepane-2,7-dione
Traditional Name:1-(4-nitrophenyl)azepane-2,7-quinone
Formula: C12H12N2O4
MolecularWeight: 248.23468
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H12N2O4/c15-11-3-1-2-4-12(16)13(11)9-5-7-10(8-6-9)14(17)18/h5-8H,1-4H2


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