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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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