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

Systemtic Name: 4-bromanyl-2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Formula: C22H15BrN3O4- MolecularWeight: 465.2762

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O4/c1-12-5-13(2)7-14(6-12)22-25-18-10-17(3-4-20(18)30-22)24-11-15-8-16(23)9-19(21(15)27)26(28)29/h3-11,27H,1-2H3/p-1