(6E)-6-[[[4-(1-adamantyl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[[4-(1-adamantyl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(1-adamantyl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(1-adamantyl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(1-adamantyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(1-adamantyl)anilino]methylene]-4-nitro-cyclohexa-2,4-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=C(C=CC5=O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N/C=C/5\C=C(C=CC5=O)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O3/c26-22-6-5-21(25(27)28)10-18(22)14-24-20-3-1-19(2-4-20)23-11-15-7-16(12-23)9-17(8-15)13-23/h1-6,10,14-17,24H,7-9,11-13H2/b18-14+