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

Systemtic Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C21H13N4O7- MolecularWeight: 433.35052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O7/c1-31-16-5-2-12(3-6-16)21-23-17-9-14(4-7-19(17)32-21)22-11-13-8-15(24(27)28)10-18(20(13)26)25(29)30/h2-11,26H,1H3/p-1