N-(1-adamantyl)-3,3-dicyano-2-(3-methoxyphenyl)-3-(4-nitrophenyl)propanamide

Systemtic Name: N-(1-adamantyl)-3,3-dicyano-2-(3-methoxyphenyl)-3-(4-nitrophenyl)propanamide Openeye Name: N-(1-adamantyl)-3,3-dicyano-2-(3-methoxyphenyl)-3-(4-nitrophenyl)propanamide CAS Name: N-(1-adamantyl)-3,3-dicyano-2-(3-methoxyphenyl)-3-(4-nitrophenyl)propanamide IUPAC Name: N-(1-adamantyl)-3,3-dicyano-2-(3-methoxyphenyl)-3-(4-nitrophenyl)propanamide Traditional Name: N-(1-adamantyl)-3,3-dicyano-2-(3-methoxyphenyl)-3-(4-nitrophenyl)propionamide Formula: C28H28N4O4 MolecularWeight: 484.54632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=O)NC23CC4CC(C2)CC(C4)C3)C(C#N)(C#N)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(C(=O)NC23CC4CC(C2)CC(C4)C3)C(C#N)(C#N)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4/c1-36-24-4-2-3-21(12-24)25(28(16-29,17-30)22-5-7-23(8-6-22)32(34)35)26(33)31-27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,12,18-20,25H,9-11,13-15H2,1H3,(H,31,33)