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

Systemtic Name: 2-(1-adamantylmethyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(1-adamantylmethyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(1-adamantylmethyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(1-adamantylmethyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(1-adamantylmethyl)-5-nitro-isoindoline-1,3-quinone Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4/c22-17-15-2-1-14(21(24)25)6-16(15)18(23)20(17)10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2