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

Systemtic Name: 6-[[[4-(1-adamantyl)phenyl]amino]methylidene]-2-bromanyl-5-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1-adamantyl)anilino]methylene]-2-bromo-5-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1-adamantyl)anilino]methylidene]-2-bromo-5-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1-adamantyl)anilino]methylidene]-2-bromo-5-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1-adamantyl)anilino]methylene]-2-bromo-5-nitro-cyclohexa-2,4-dien-1-one Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O3/c24-20-5-6-21(26(28)29)19(22(20)27)13-25-18-3-1-17(2-4-18)23-10-14-7-15(11-23)9-16(8-14)12-23/h1-6,13-16,25H,7-12H2