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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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