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

Systemtic Name: 2-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C20H10ClN4O6- MolecularWeight: 437.7696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H11ClN4O6/c21-13-3-1-2-11(6-13)20-23-16-8-14(4-5-18(16)31-20)22-10-12-7-15(24(27)28)9-17(19(12)26)25(29)30/h1-10,26H/p-1