4-chloranyl-N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Formula: C20H10Cl2IN3O4 MolecularWeight: 554.12157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H10Cl2IN3O4/c21-14-5-2-11(23)8-13(14)20-25-16-9-12(3-6-18(16)30-20)24-19(27)10-1-4-15(22)17(7-10)26(28)29/h1-9H,(H,24,27)