2-azanyl-4,6-bis(1,3-benzodioxol-5-yl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile

Systemtic Name: 2-azanyl-4,6-bis(1,3-benzodioxol-5-yl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile Openeye Name: 2-amino-4,6-bis(1,3-benzodioxol-5-yl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile CAS Name: 2-amino-4,6-bis(1,3-benzodioxol-5-yl)-5-nitrocyclohex-2-ene-1,1,3-tricarbonitrile IUPAC Name: 2-amino-4,6-bis(1,3-benzodioxol-5-yl)-5-nitrocyclohex-2-ene-1,1,3-tricarbonitrile Traditional Name: 2-amino-4,6-bis(1,3-benzodioxol-5-yl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile Formula: C23H15N5O6 MolecularWeight: 457.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(C(C(=C3C#N)N)(C#N)C#N)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(C(C(C(=C3C#N)N)(C#N)C#N)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H15N5O6/c24-7-14-19(12-1-3-15-17(5-12)33-10-31-15)21(28(29)30)20(23(8-25,9-26)22(14)27)13-2-4-16-18(6-13)34-11-32-16/h1-6,19-21H,10-11,27H2