5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione

Systemtic Name: 5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione Openeye Name: 5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione CAS Name: 5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione IUPAC Name: 5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione Traditional Name: 5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-quinone Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC1(C(=O)NC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2CC1(C(=O)NC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4/c15-10-7-5-12(6-7,11(16)13-10)8-1-3-9(4-2-8)14(17)18/h1-4,7H,5-6H2,(H,13,15,16)