6-[[[3-(1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4,5-bis(bromanyl)-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-4,5-bis(bromanyl)-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylene]-4,5-dibromo-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylidene]-4,5-dibromo-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylidene]-4,5-dibromo-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(1,3-benzoxazol-2-yl)anilino]methylene]-4,5-dibromo-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H14Br2N2O3 MolecularWeight: 502.15546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)C1=O)Br)Br

Isomeric SMILES

COC1=CC(=C(C(=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)C1=O)Br)Br

InChI

InChI=1S/C21H14Br2N2O3/c1-27-18-10-15(22)19(23)14(20(18)26)11-24-13-6-4-5-12(9-13)21-25-16-7-2-3-8-17(16)28-21/h2-11,24H,1H3