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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br

InChI

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