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

Systemtic Name: 2-bromanyl-6-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[2-(4-methoxyphenyl)-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=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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