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

Systemtic Name: 6-[[[2-(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]amino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=C4C=CC(=O)C(=C4)Br)N3)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN3O6/c1-2-31-20-10-15(26(29)30)7-13(21(20)28)11-24-14-4-6-19-17(9-14)25-22(32-19)12-3-5-18(27)16(23)8-12/h3-11,24-25H,2H2,1H3