3-[[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 3-[[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 3-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-oxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: 3-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-oxo-1-cyclohexa-1,5-dienecarboxylate IUPAC Name: 3-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: 3-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-keto-cyclohexa-1,5-diene-1-carboxylate Formula: C21H12IN2O4- MolecularWeight: 483.23545

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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=CC4=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)C(=O)[O-]

InChI

InChI=1S/C21H13IN2O4/c22-15-3-1-2-12(9-15)20-24-17-10-16(5-7-19(17)28-20)23-11-14-8-13(21(26)27)4-6-18(14)25/h1-11,23H,(H,26,27)/p-1