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

Systemtic Name: 6-[[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C20H11IN4O6 MolecularWeight: 530.22901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H11IN4O6/c21-13-3-1-2-11(6-13)20-23-16-8-14(4-5-18(16)31-20)22-10-12-7-15(24(27)28)9-17(19(12)26)25(29)30/h1-10,22H