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

Systemtic Name: 4-bromanyl-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate Formula: C20H10BrClN3O4- MolecularWeight: 471.6681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C20H11BrClN3O4/c21-13-7-12(19(26)17(8-13)25(27)28)10-23-15-5-6-16-18(9-15)29-20(24-16)11-1-3-14(22)4-2-11/h1-10,26H/p-1