(4E)-4-[[[4-(1-adamantyl)phenyl]amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[[[4-(1-adamantyl)phenyl]amino]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[[4-(1-adamantyl)anilino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[[4-(1-adamantyl)anilino]methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[[4-(1-adamantyl)anilino]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[[4-(1-adamantyl)anilino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC=C5C=CC(=O)C(=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N/C=C/5\C=CC(=O)C(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O3/c26-22-6-1-15(10-21(22)25(27)28)14-24-20-4-2-19(3-5-20)23-11-16-7-17(12-23)9-18(8-16)13-23/h1-6,10,14,16-18,24H,7-9,11-13H2/b15-14+