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

Systemtic Name: 2-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C21H13BrN3O5- MolecularWeight: 467.24902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-])Br

InChI

InChI=1S/C21H14BrN3O5/c1-29-19-6-2-12(9-16(19)22)21-24-17-10-14(3-7-20(17)30-21)23-11-13-8-15(25(27)28)4-5-18(13)26/h2-11,26H,1H3/p-1