(6Z)-6-[[[5-(1-adamantyl)-2-oxidanyl-phenyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[[[5-(1-adamantyl)-2-oxidanyl-phenyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[[5-(1-adamantyl)-2-hydroxy-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[[5-(1-adamantyl)-2-hydroxyanilino]methylidene]-2-bromo-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[[5-(1-adamantyl)-2-hydroxyanilino]methylidene]-2-bromo-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[[5-(1-adamantyl)-2-hydroxy-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O4/c24-19-8-18(26(29)30)6-16(22(19)28)12-25-20-7-17(1-2-21(20)27)23-9-13-3-14(10-23)5-15(4-13)11-23/h1-2,6-8,12-15,25,27H,3-5,9-11H2/b16-12-