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

Systemtic Name: 2-azanyl-4,6-bis(3,4-dimethoxyphenyl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile Openeye Name: 2-amino-4,6-bis(3,4-dimethoxyphenyl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile CAS Name: 2-amino-4,6-bis(3,4-dimethoxyphenyl)-5-nitrocyclohex-2-ene-1,1,3-tricarbonitrile IUPAC Name: 2-amino-4,6-bis(3,4-dimethoxyphenyl)-5-nitrocyclohex-2-ene-1,1,3-tricarbonitrile Traditional Name: 2-amino-4,6-bis(3,4-dimethoxyphenyl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile Formula: C25H23N5O6 MolecularWeight: 489.48002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C25H23N5O6/c1-33-17-7-5-14(9-19(17)35-3)21-16(11-26)24(29)25(12-27,13-28)22(23(21)30(31)32)15-6-8-18(34-2)20(10-15)36-4/h5-10,21-23H,29H2,1-4H3