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

Systemtic Name: 5-(4-nitrophenyl)-3-(phenylmethyl)-3-azabicyclo[3.1.1]heptane-2,4-dione Openeye Name: 3-benzyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione CAS Name: 5-(4-nitrophenyl)-3-(phenylmethyl)-3-azabicyclo[3.1.1]heptane-2,4-dione IUPAC Name: 3-benzyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione Traditional Name: 3-benzyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-quinone Formula: C19H16N2O4 MolecularWeight: 336.34134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC1(C(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC1(C(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4/c22-17-14-10-19(11-14,15-6-8-16(9-7-15)21(24)25)18(23)20(17)12-13-4-2-1-3-5-13/h1-9,14H,10-12H2