6-[[[2-(3-bromanyl-4-methyl-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-methyl-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-methyl-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-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-methyl-phenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H18BrN3O5 MolecularWeight: 496.31012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN3O5/c1-3-31-21-11-17(27(29)30)8-15(22(21)28)12-25-16-6-7-20-19(10-16)26-23(32-20)14-5-4-13(2)18(24)9-14/h4-12,25H,3H2,1-2H3