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

Systemtic Name: 2-bromanyl-6-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C21H13BrN3O4- MolecularWeight: 451.24962

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O4/c1-12-3-2-4-13(7-12)21-24-18-9-15(5-6-19(18)29-21)23-11-14-8-16(25(27)28)10-17(22)20(14)26/h2-11,26H,1H3/p-1