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

Systemtic Name: 6-[[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H18BrN3O6 MolecularWeight: 512.30952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)Br)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)Br)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C23H18BrN3O6/c1-3-32-21-11-16(27(29)30)8-14(22(21)28)12-25-15-5-7-20-18(10-15)26-23(33-20)13-4-6-19(31-2)17(24)9-13/h4-12,25H,3H2,1-2H3