2-(1-adamantyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(1-adamantyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(1-adamantyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(1-adamantyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(1-adamantyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(1-adamantyl)-5-nitro-isoindoline-1,3-quinone Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c21-16-14-2-1-13(20(23)24)6-15(14)17(22)19(16)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2