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

Systemtic Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C22H15BrN3O5- MolecularWeight: 481.2756

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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(=CC=C4)Br)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O5/c1-2-30-20-11-17(26(28)29)9-14(21(20)27)12-24-16-6-7-19-18(10-16)25-22(31-19)13-4-3-5-15(23)8-13/h3-12,27H,2H2,1H3/p-1