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

Systemtic Name: 2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate Formula: C22H15N4O6- MolecularWeight: 431.3777

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O6/c1-2-13-6-7-20-18(8-13)24-22(32-20)14-4-3-5-16(9-14)23-12-15-10-17(25(28)29)11-19(21(15)27)26(30)31/h3-12,27H,2H2,1H3/p-1