2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[3-(5,7-dimethyl-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:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])C

InChI

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