N-[2-(5,6-dimethoxy-6-nitro-cyclohexa-2,4-dien-1-yl)ethyl]-N'-phenethyl-hexanediamide

Systemtic Name: N-[2-(5,6-dimethoxy-6-nitro-cyclohexa-2,4-dien-1-yl)ethyl]-N'-phenethyl-hexanediamide Openeye Name: N-[2-(5,6-dimethoxy-6-nitro-cyclohexa-2,4-dien-1-yl)ethyl]-N'-phenethyl-hexanediamide CAS Name: N-[2-(5,6-dimethoxy-6-nitro-1-cyclohexa-2,4-dienyl)ethyl]-N'-phenethylhexanediamide IUPAC Name: N-[2-(5,6-dimethoxy-6-nitrocyclohexa-2,4-dien-1-yl)ethyl]-N'-phenethylhexanediamide Traditional Name: N-[2-(5,6-dimethoxy-6-nitro-cyclohexa-2,4-dien-1-yl)ethyl]-N'-phenethyl-adipamide Formula: C24H33N3O6 MolecularWeight: 459.53532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O6/c1-32-21-12-8-11-20(24(21,33-2)27(30)31)16-18-26-23(29)14-7-6-13-22(28)25-17-15-19-9-4-3-5-10-19/h3-5,8-12,20H,6-7,13-18H2,1-2H3,(H,25,28)(H,26,29)