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

Systemtic Name: 6-[[[4-(1-adamantyl)-2-bromanyl-phenyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1-adamantyl)-2-bromo-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1-adamantyl)-2-bromoanilino]methylidene]-2-bromo-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1-adamantyl)-2-bromoanilino]methylidene]-2-bromo-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1-adamantyl)-2-bromo-anilino]methylene]-2-bromo-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H22Br2N2O3 MolecularWeight: 534.24038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22Br2N2O3/c24-19-7-17(23-9-13-3-14(10-23)5-15(4-13)11-23)1-2-21(19)26-12-16-6-18(27(29)30)8-20(25)22(16)28/h1-2,6-8,12-15,26H,3-5,9-11H2