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

Systemtic Name: 2-azanyl-6-(6-nitro-1,3-benzodioxol-5-yl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(6-nitro-1,3-benzodioxol-5-yl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(6-nitro-1,3-benzodioxol-5-yl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(6-nitro-1,3-benzodioxol-5-yl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(6-nitro-1,3-benzodioxol-5-yl)-4,4-dipropoxy-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)OCCC

Isomeric SMILES

CCCOC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)OCCC

InChI

InChI=1S/C20H21N5O6/c1-3-5-30-20(31-6-4-2)19(10-22)16(18(19,9-21)17(23)24-20)12-7-14-15(29-11-28-14)8-13(12)25(26)27/h7-8,16H,3-6,11H2,1-2H3,(H2,23,24)