2-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-bromanyl-4-(phenylmethyl)phenolate

Systemtic Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-bromanyl-4-(phenylmethyl)phenolate Openeye Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-benzyl-6-bromo-phenolate CAS Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-bromo-4-(phenylmethyl)phenolate IUPAC Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-4-benzyl-6-bromophenolate Traditional Name: 2-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-benzyl-6-bromo-phenolate Formula: C28H20BrN2O2- MolecularWeight: 496.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])Br)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N=CC4=CC(=CC(=C4[O-])Br)CC5=CC=CC=C5

InChI

InChI=1S/C28H21BrN2O2/c1-18-11-12-21(28-31-24-9-5-6-10-26(24)33-28)16-25(18)30-17-22-14-20(15-23(29)27(22)32)13-19-7-3-2-4-8-19/h2-12,14-17,32H,13H2,1H3/p-1