2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C23H18N3O5- MolecularWeight: 416.40612

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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-])OC)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O5/c1-13-6-14(2)8-15(7-13)23-25-19-10-17(4-5-20(19)31-23)24-12-16-9-18(26(28)29)11-21(30-3)22(16)27/h4-12,27H,1-3H3/p-1