2-[[[4-(1-adamantyl)phenyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[[4-(1-adamantyl)phenyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(1-adamantyl)anilino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(1-adamantyl)anilino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(1-adamantyl)anilino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(1-adamantyl)anilino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NCN5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NCN5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O4/c29-23-20-2-1-3-21(28(31)32)22(20)24(30)27(23)14-26-19-6-4-18(5-7-19)25-11-15-8-16(12-25)10-17(9-15)13-25/h1-7,15-17,26H,8-14H2