N-(1-adamantyl)-5-[3-nitro-4,5-bis(oxidanyl)phenyl]pentanamide

Systemtic Name: N-(1-adamantyl)-5-[3-nitro-4,5-bis(oxidanyl)phenyl]pentanamide Openeye Name: N-(1-adamantyl)-5-(3,4-dihydroxy-5-nitro-phenyl)pentanamide CAS Name: N-(1-adamantyl)-5-(3,4-dihydroxy-5-nitrophenyl)pentanamide IUPAC Name: N-(1-adamantyl)-5-(3,4-dihydroxy-5-nitrophenyl)pentanamide Traditional Name: N-(1-adamantyl)-5-(3,4-dihydroxy-5-nitro-phenyl)valeramide Formula: C21H28N2O5 MolecularWeight: 388.45742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCC4=CC(=C(C(=C4)O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCC4=CC(=C(C(=C4)O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O5/c24-18-9-13(8-17(20(18)26)23(27)28)3-1-2-4-19(25)22-21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16,24,26H,1-7,10-12H2,(H,22,25)