N-(1-adamantyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(1-adamantyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(1-adamantyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(1-adamantyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(1-adamantyl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-11(18(25)22-21-8-12-5-13(9-21)7-14(6-12)10-21)23-19(26)15-3-2-4-16(24(28)29)17(15)20(23)27/h2-4,11-14H,5-10H2,1H3,(H,22,25)