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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br

InChI

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