2-azanyl-4,4-dimethoxy-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-dimethoxy-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-dimethoxy-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-dimethoxy-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-dimethoxy-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-dimethoxy-6-(6-nitro-1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C16H13N5O6 MolecularWeight: 371.30432

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)OC

Isomeric SMILES

COC1(C2(C(C2(C(=N1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)OC

InChI

InChI=1S/C16H13N5O6/c1-24-16(25-2)15(6-18)12(14(15,5-17)13(19)20-16)8-3-10-11(27-7-26-10)4-9(8)21(22)23/h3-4,12H,7H2,1-2H3,(H2,19,20)