5-(4-nitrophenyl)-1-phenyl-3-propyl-3-azabicyclo[3.1.1]heptane-2,4-dione

Systemtic Name: 5-(4-nitrophenyl)-1-phenyl-3-propyl-3-azabicyclo[3.1.1]heptane-2,4-dione Openeye Name: 5-(4-nitrophenyl)-1-phenyl-3-propyl-3-azabicyclo[3.1.1]heptane-2,4-dione CAS Name: 5-(4-nitrophenyl)-1-phenyl-3-propyl-3-azabicyclo[3.1.1]heptane-2,4-dione IUPAC Name: 5-(4-nitrophenyl)-1-phenyl-3-propyl-3-azabicyclo[3.1.1]heptane-2,4-dione Traditional Name: 5-(4-nitrophenyl)-1-phenyl-3-propyl-3-azabicyclo[3.1.1]heptane-2,4-quinone Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2(CC(C2)(C1=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2(CC(C2)(C1=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4/c1-2-12-22-18(24)20(15-6-4-3-5-7-15)13-21(14-20,19(22)25)16-8-10-17(11-9-16)23(26)27/h3-11H,2,12-14H2,1H3