2,7-bis(3,4-dimethoxyphenyl)-6-nitro-5-oxidanyl-2-propan-2-yl-heptanenitrile

Systemtic Name: 2,7-bis(3,4-dimethoxyphenyl)-6-nitro-5-oxidanyl-2-propan-2-yl-heptanenitrile Openeye Name: 2,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-2-isopropyl-6-nitro-heptanenitrile CAS Name: 2,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-ylheptanenitrile IUPAC Name: 2,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-6-nitro-2-propan-2-ylheptanenitrile Traditional Name: 2,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-2-isopropyl-6-nitro-enanthonitrile Formula: C26H34N2O7 MolecularWeight: 486.55736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])O)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCC(C(CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-])O)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C26H34N2O7/c1-17(2)26(16-27,19-8-10-23(33-4)25(15-19)35-6)12-11-21(29)20(28(30)31)13-18-7-9-22(32-3)24(14-18)34-5/h7-10,14-15,17,20-21,29H,11-13H2,1-6H3