N-[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C22H15BrClN3O5 MolecularWeight: 516.7286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrClN3O5/c1-2-31-20-7-3-12(9-18(20)27(29)30)21(28)25-14-5-8-19-17(11-14)26-22(32-19)15-10-13(23)4-6-16(15)24/h3-11H,2H2,1H3,(H,25,28)