2-butan-2-yl-2,7-bis(3,4-dimethoxyphenyl)-6-nitro-heptanenitrile

Systemtic Name: 2-butan-2-yl-2,7-bis(3,4-dimethoxyphenyl)-6-nitro-heptanenitrile Openeye Name: 2,7-bis(3,4-dimethoxyphenyl)-6-nitro-2-sec-butyl-heptanenitrile CAS Name: 2-butan-2-yl-2,7-bis(3,4-dimethoxyphenyl)-6-nitroheptanenitrile IUPAC Name: 2-butan-2-yl-2,7-bis(3,4-dimethoxyphenyl)-6-nitroheptanenitrile Traditional Name: 2,7-bis(3,4-dimethoxyphenyl)-6-nitro-2-sec-butyl-enanthonitrile Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O6/c1-7-19(2)27(18-28,21-11-13-24(33-4)26(17-21)35-6)14-8-9-22(29(30)31)15-20-10-12-23(32-3)25(16-20)34-5/h10-13,16-17,19,22H,7-9,14-15H2,1-6H3