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

Systemtic Name: 2-bromanyl-6-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C21H12BrClN3O4- MolecularWeight: 485.69468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H13BrClN3O4/c22-17-10-16(26(28)29)8-13(21(17)27)11-24-15-5-6-19-18(9-15)25-20(30-19)7-12-1-3-14(23)4-2-12/h1-6,8-11,27H,7H2/p-1