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

Systemtic Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]iminomethyl]-6-bromanyl-4-nitro-phenolate Openeye Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]iminomethyl]-6-bromo-4-nitro-phenolate CAS Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-6-bromo-4-nitrophenolate IUPAC Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]iminomethyl]-6-bromo-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=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-]

InChI

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