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

Systemtic Name: N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide Formula: C21H13ClIN3O4 MolecularWeight: 533.70309

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClIN3O4/c22-17-7-3-13(23)10-16(17)21-25-18-11-14(4-8-19(18)30-21)24-20(27)9-12-1-5-15(6-2-12)26(28)29/h1-8,10-11H,9H2,(H,24,27)