2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-heptanenitrile

Systemtic Name: 2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-heptanenitrile Openeye Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-2-sec-butyl-heptanenitrile CAS Name: 2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitroheptanenitrile IUPAC Name: 2-butan-2-yl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitroheptanenitrile Traditional Name: 7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethoxyphenyl)-6-nitro-2-sec-butyl-enanthonitrile Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCCC(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)C(CCCC(CC1COC2=CC=CC=C2O1)[N+](=O)[O-])(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H34N2O6/c1-5-19(2)27(18-28,20-12-13-23(32-3)26(15-20)33-4)14-8-9-21(29(30)31)16-22-17-34-24-10-6-7-11-25(24)35-22/h6-7,10-13,15,19,21-22H,5,8-9,14,16-17H2,1-4H3