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

Systemtic Name: N-[2-(4-bromanyl-3-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(4-bromo-3-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(4-bromo-3-methyl-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C23H18BrN3O5 MolecularWeight: 496.31012

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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=CC(=C(C=C4)Br)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN3O5/c1-3-31-21-8-5-14(11-19(21)27(29)30)22(28)25-16-6-9-20-18(12-16)26-23(32-20)15-4-7-17(24)13(2)10-15/h4-12H,3H2,1-2H3,(H,25,28)