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

Systemtic Name: 2-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-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=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl)Br

Isomeric SMILES

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

InChI

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