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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-12(25-21(28)17-4-3-5-18(26(30)31)19(17)22(25)29)20(27)24-13(2)23-9-14-6-15(10-23)8-16(7-14)11-23/h3-5,12-16H,6-11H2,1-2H3,(H,24,27)