5-[3-(2-nitrophenoxy)propylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile

Systemtic Name: 5-[3-(2-nitrophenoxy)propylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Openeye Name: 2-isopropyl-5-[3-(2-nitrophenoxy)propylamino]-2-(3,4,5-trimethoxyphenyl)pentanenitrile CAS Name: 5-[3-(2-nitrophenoxy)propylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile IUPAC Name: 5-[3-(2-nitrophenoxy)propylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile Traditional Name: 2-isopropyl-5-[3-(2-nitrophenoxy)propylamino]-2-(3,4,5-trimethoxyphenyl)valeronitrile Formula: C26H35N3O6 MolecularWeight: 485.5726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNCCCOC1=CC=CC=C1[N+](=O)[O-])(C#N)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)C(CCCNCCCOC1=CC=CC=C1[N+](=O)[O-])(C#N)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C26H35N3O6/c1-19(2)26(18-27,20-16-23(32-3)25(34-5)24(17-20)33-4)12-8-13-28-14-9-15-35-22-11-7-6-10-21(22)29(30)31/h6-7,10-11,16-17,19,28H,8-9,12-15H2,1-5H3