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

Systemtic Name: 5-(4-nitrophenyl)-3-pentyl-3-azabicyclo[3.1.1]heptane-2,4-dione Openeye Name: 5-(4-nitrophenyl)-3-pentyl-3-azabicyclo[3.1.1]heptane-2,4-dione CAS Name: 5-(4-nitrophenyl)-3-pentyl-3-azabicyclo[3.1.1]heptane-2,4-dione IUPAC Name: 5-(4-nitrophenyl)-3-pentyl-3-azabicyclo[3.1.1]heptane-2,4-dione Traditional Name: 3-amyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-quinone Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2CC(C2)(C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2CC(C2)(C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-2-3-4-9-18-15(20)12-10-17(11-12,16(18)21)13-5-7-14(8-6-13)19(22)23/h5-8,12H,2-4,9-11H2,1H3