2-[(3-bromanyl-1-adamantyl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3-bromanyl-1-adamantyl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3-bromo-1-adamantyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3-bromo-1-adamantyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3-bromo-1-adamantyl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(3-bromo-1-adamantyl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN2O4/c20-19-7-11-3-12(8-19)6-18(5-11,9-19)10-21-16(23)14-2-1-13(22(25)26)4-15(14)17(21)24/h1-2,4,11-12H,3,5-10H2