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

Systemtic Name: 2-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C21H13N4O6- MolecularWeight: 417.35112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6/c1-12-3-2-4-13(7-12)21-23-17-9-15(5-6-19(17)31-21)22-11-14-8-16(24(27)28)10-18(20(14)26)25(29)30/h2-11,26H,1H3/p-1