2-azanyl-4,4-dibutoxy-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: 2-azanyl-4,4-dibutoxy-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-4,4-dibutoxy-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-4,4-dibutoxy-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-4,4-dibutoxy-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-4,4-dibutoxy-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)OCCCC

Isomeric SMILES

CCCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)OCCCC

InChI

InChI=1S/C22H25N5O6/c1-3-5-7-32-22(33-8-6-4-2)21(12-24)18(20(21,11-23)19(25)26-22)14-9-16-17(31-13-30-16)10-15(14)27(28)29/h9-10,18H,3-8,13H2,1-2H3,(H2,25,26)