3-hexyl-6-(3-nitrophenyl)-2,4-bis(oxidanylidene)-3-azabicyclo[3.1.0]hexane-6-carbonitrile

Systemtic Name: 3-hexyl-6-(3-nitrophenyl)-2,4-bis(oxidanylidene)-3-azabicyclo[3.1.0]hexane-6-carbonitrile Openeye Name: 3-hexyl-6-(3-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carbonitrile CAS Name: 3-hexyl-6-(3-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carbonitrile IUPAC Name: 3-hexyl-6-(3-nitrophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carbonitrile Traditional Name: 3-hexyl-2,4-diketo-6-(3-nitrophenyl)-3-azabicyclo[3.1.0]hexane-6-carbonitrile Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2C(C1=O)C2(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2C(C1=O)C2(C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c1-2-3-4-5-9-20-16(22)14-15(17(20)23)18(14,11-19)12-7-6-8-13(10-12)21(24)25/h6-8,10,14-15H,2-5,9H2,1H3