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

Systemtic Name: 6-[[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14IN3O5 MolecularWeight: 515.25743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H14IN3O5/c1-29-19-10-16(25(27)28)8-13(20(19)26)11-23-15-5-6-18-17(9-15)24-21(30-18)12-3-2-4-14(22)7-12/h2-11,23H,1H3