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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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