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

Systemtic Name: N-[2-[2-chloranyl-4,5-bis(fluoranyl)phenyl]-1,3-benzoxazol-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(2-chloro-4,5-difluoro-phenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(2-chloro-4,5-difluoro-phenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitro-benzamide Formula: C21H12ClF2N3O4 MolecularWeight: 443.787486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4Cl)F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4Cl)F)F

InChI

InChI=1S/C21H12ClF2N3O4/c1-10-12(3-2-4-18(10)27(29)30)20(28)25-11-5-6-19-17(7-11)26-21(31-19)13-8-15(23)16(24)9-14(13)22/h2-9H,1H3,(H,25,28)