(6E)-2-bromanyl-6-[[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2-bromanyl-6-[[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-bromo-6-[[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-bromo-6-[[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-bromo-6-[[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-methylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-bromo-6-[[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C21H13BrClFN2O2 MolecularWeight: 459.695523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl)C(=O)C(=C1)Br

Isomeric SMILES

CC1=C/C(=C\NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl)/C(=O)C(=C1)Br

InChI

InChI=1S/C21H13BrClFN2O2/c1-11-6-12(20(27)16(22)7-11)10-25-14-3-5-19-18(9-14)26-21(28-19)15-4-2-13(24)8-17(15)23/h2-10,25H,1H3/b12-10+