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

Systemtic Name: N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Formula: C20H11ClIN3O4 MolecularWeight: 519.67651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H11ClIN3O4/c21-16-6-4-12(22)9-15(16)20-24-17-10-13(5-7-18(17)29-20)23-19(26)11-2-1-3-14(8-11)25(27)28/h1-10H,(H,23,26)