N-[1-(1-adamantyl)ethyl]-4-[3-(3-chloranylphenoxy)-5-nitro-phenoxy]benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-[3-(3-chloranylphenoxy)-5-nitro-phenoxy]benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-[3-(3-chlorophenoxy)-5-nitro-phenoxy]benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-[3-(3-chlorophenoxy)-5-nitro-phenoxy]benzamide Formula: C31H31ClN2O5 MolecularWeight: 547.04124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)OC5=CC(=CC(=C5)[N+](=O)[O-])OC6=CC(=CC=C6)Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)OC5=CC(=CC(=C5)[N+](=O)[O-])OC6=CC(=CC=C6)Cl

InChI

InChI=1S/C31H31ClN2O5/c1-19(31-16-20-9-21(17-31)11-22(10-20)18-31)33-30(35)23-5-7-26(8-6-23)38-28-13-25(34(36)37)14-29(15-28)39-27-4-2-3-24(32)12-27/h2-8,12-15,19-22H,9-11,16-18H2,1H3,(H,33,35)