2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Formula: C22H16N3O4- MolecularWeight: 386.38014

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