2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C22H16N3O4- MolecularWeight: 386.38014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4/c1-13-7-14(2)9-15(8-13)22-24-19-11-17(3-6-21(19)29-22)23-12-16-10-18(25(27)28)4-5-20(16)26/h3-12,26H,1-2H3/p-1