N'-[2-(3,4-dimethoxy-2-nitro-phenyl)ethyl]-N-phenethyl-hexanediamide

Systemtic Name: N'-[2-(3,4-dimethoxy-2-nitro-phenyl)ethyl]-N-phenethyl-hexanediamide Openeye Name: N'-[2-(3,4-dimethoxy-2-nitro-phenyl)ethyl]-N-phenethyl-hexanediamide CAS Name: N'-[2-(3,4-dimethoxy-2-nitrophenyl)ethyl]-N-phenethylhexanediamide IUPAC Name: N'-[2-(3,4-dimethoxy-2-nitrophenyl)ethyl]-N-phenethylhexanediamide Traditional Name: N'-[2-(3,4-dimethoxy-2-nitro-phenyl)ethyl]-N-phenethyl-adipamide Formula: C24H31N3O6 MolecularWeight: 457.51944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CCNC(=O)CCCCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C24H31N3O6/c1-32-20-13-12-19(23(27(30)31)24(20)33-2)15-17-26-22(29)11-7-6-10-21(28)25-16-14-18-8-4-3-5-9-18/h3-5,8-9,12-13H,6-7,10-11,14-17H2,1-2H3,(H,25,28)(H,26,29)