N-[4-nitro-3-(octanoylamino)phenyl]octanamide

Systemtic Name: N-[4-nitro-3-(octanoylamino)phenyl]octanamide Openeye Name: N-[4-nitro-3-(octanoylamino)phenyl]octanamide CAS Name: N-[4-nitro-3-(1-oxooctylamino)phenyl]octanamide IUPAC Name: N-[4-nitro-3-(octanoylamino)phenyl]octanamide Traditional Name: N-[3-(caprylylamino)-4-nitro-phenyl]caprylamide Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCCCCCC

InChI

InChI=1S/C22H35N3O4/c1-3-5-7-9-11-13-21(26)23-18-15-16-20(25(28)29)19(17-18)24-22(27)14-12-10-8-6-4-2/h15-17H,3-14H2,1-2H3,(H,23,26)(H,24,27)