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

Systemtic Name: 6-[[[2-chloranyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-ethoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H18ClN3O5 MolecularWeight: 451.85912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C)Cl)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C)Cl)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN3O5/c1-3-31-21-11-16(27(29)30)9-15(22(21)28)12-25-18-10-14(5-6-17(18)24)23-26-19-8-13(2)4-7-20(19)32-23/h4-12,25H,3H2,1-2H3