(6Z)-6-[(1-adamantylamino)methylidene]-4,5-bis(bromanyl)-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[(1-adamantylamino)methylidene]-4,5-bis(bromanyl)-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[(1-adamantylamino)methylene]-4,5-dibromo-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[(1-adamantylamino)methylidene]-4,5-dibromo-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[(1-adamantylamino)methylidene]-4,5-dibromo-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[(1-adamantylamino)methylene]-4,5-dibromo-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C18H21Br2NO2 MolecularWeight: 443.17284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=CNC23CC4CC(C2)CC(C4)C3)C1=O)Br)Br

Isomeric SMILES

COC1=CC(=C(/C(=C\NC23CC4CC(C2)CC(C4)C3)/C1=O)Br)Br

InChI

InChI=1S/C18H21Br2NO2/c1-23-15-5-14(19)16(20)13(17(15)22)9-21-18-6-10-2-11(7-18)4-12(3-10)8-18/h5,9-12,21H,2-4,6-8H2,1H3/b13-9+