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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN3O5/c1-2-30-17-6-3-13(4-7-17)22-25-19-10-15(5-8-20(19)31-22)24-12-14-9-16(26(28)29)11-18(23)21(14)27/h3-12,27H,2H2,1H3/p-1