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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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