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

Systemtic Name: 2-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C22H15BrN3O6- MolecularWeight: 497.275

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O6/c1-30-18-5-3-12(8-16(18)23)22-25-17-9-14(4-6-19(17)32-22)24-11-13-7-15(26(28)29)10-20(31-2)21(13)27/h3-11,27H,1-2H3/p-1