4-nitro-N-[3-oxidanylidene-3-[3-(2,3,5-trimethylphenoxy)propylamino]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[3-(2,3,5-trimethylphenoxy)propylamino]propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[3-(2,3,5-trimethylphenoxy)propylamino]propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[3-(2,3,5-trimethylphenoxy)propylamino]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[3-(2,3,5-trimethylphenoxy)propylamino]propyl]benzamide Traditional Name: N-[3-keto-3-[3-(2,3,5-trimethylphenoxy)propylamino]propyl]-4-nitro-benzamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H27N3O5/c1-15-13-16(2)17(3)20(14-15)30-12-4-10-23-21(26)9-11-24-22(27)18-5-7-19(8-6-18)25(28)29/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)(H,24,27)