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

Systemtic Name: N-[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide Openeye Name: N-[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide CAS Name: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide IUPAC Name: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide Traditional Name: N-[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide Formula: C20H10ClFN4O6 MolecularWeight: 456.768003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=C(O2)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=C(O2)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C20H10ClFN4O6/c21-15-7-10(22)1-4-13(15)20-24-16-8-11(2-6-18(16)32-20)23-19(27)14-5-3-12(25(28)29)9-17(14)26(30)31/h1-9H,(H,23,27)