N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-methoxy-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-methoxy-2-nitro-phenoxy)ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-methoxy-2-nitro-phenoxy)acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-methoxy-2-nitro-phenoxy)acetamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-29-18-3-4-20(19(10-18)25(27)28)30-14-21(26)24(6-2-5-23)22-11-15-7-16(12-22)9-17(8-15)13-22/h3-4,10,15-17H,2,6-9,11-14H2,1H3