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

Systemtic Name: 3-butyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione Openeye Name: 3-butyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione CAS Name: 3-butyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione IUPAC Name: 3-butyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione Traditional Name: 3-butyl-5-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-quinone Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2CC(C2)(C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2CC(C2)(C1=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-2-3-8-17-14(19)11-9-16(10-11,15(17)20)12-4-6-13(7-5-12)18(21)22/h4-7,11H,2-3,8-10H2,1H3