N-[2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-5-nitro-phenyl]ethanamide

Systemtic Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-5-nitro-phenyl]ethanamide Openeye Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethoxy]-5-nitro-phenyl]acetamide CAS Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]-5-nitrophenyl]acetamide IUPAC Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethoxy]-5-nitrophenyl]acetamide Traditional Name: N-[2-[2-[homoveratryl(methyl)amino]ethoxy]-5-nitro-phenyl]acetamide Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCCN(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OCCN(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O6/c1-15(25)22-18-14-17(24(26)27)6-8-19(18)30-12-11-23(2)10-9-16-5-7-20(28-3)21(13-16)29-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)