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

Systemtic Name: 1-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-naphthalen-2-olate Openeye Name: 1-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-naphthalen-2-olate CAS Name: 1-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-2-naphthalenolate IUPAC Name: 1-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitronaphthalen-2-olate Traditional Name: 1-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-naphthalen-2-olate Formula: C26H18N3O4- MolecularWeight: 436.43882

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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=CC5=C4C=CC(=C5)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC5=C4C=CC(=C5)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C26H19N3O4/c1-15-9-16(2)11-18(10-15)26-28-23-13-19(4-8-25(23)33-26)27-14-22-21-6-5-20(29(31)32)12-17(21)3-7-24(22)30/h3-14,30H,1-2H3/p-1