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

Systemtic Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C20H11BrN3O4- MolecularWeight: 437.22304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN3O4/c21-14-3-1-2-12(8-14)20-23-17-10-15(4-7-19(17)28-20)22-11-13-9-16(24(26)27)5-6-18(13)25/h1-11,25H/p-1