1-(azocan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Openeye Name: 1-(azocan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone CAS Name: 1-(1-azocanyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone Traditional Name: 1-(azocan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N3CCCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C22H26N2O5/c1-28-19-10-7-17(8-11-19)20-15-18(24(26)27)9-12-21(20)29-16-22(25)23-13-5-3-2-4-6-14-23/h7-12,15H,2-6,13-14,16H2,1H3