2-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C23H17BrN3O6- MolecularWeight: 511.30158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN3O6/c1-3-32-21-11-16(27(29)30)8-14(22(21)28)12-25-15-5-7-20-18(10-15)26-23(33-20)13-4-6-19(31-2)17(24)9-13/h4-12,28H,3H2,1-2H3/p-1