N-(3-nitro-5-pyridin-3-yloxy-phenyl)adamantane-1-carboxamide

Systemtic Name: N-(3-nitro-5-pyridin-3-yloxy-phenyl)adamantane-1-carboxamide Openeye Name: N-[3-nitro-5-(3-pyridyloxy)phenyl]adamantane-1-carboxamide CAS Name: N-[3-nitro-5-(3-pyridinyloxy)phenyl]-1-adamantanecarboxamide IUPAC Name: N-(3-nitro-5-pyridin-3-yloxyphenyl)adamantane-1-carboxamide Traditional Name: N-[3-nitro-5-(3-pyridyloxy)phenyl]adamantane-1-carboxamide Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)OC5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC(=CC(=C4)OC5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c26-21(22-10-14-4-15(11-22)6-16(5-14)12-22)24-17-7-18(25(27)28)9-20(8-17)29-19-2-1-3-23-13-19/h1-3,7-9,13-16H,4-6,10-12H2,(H,24,26)