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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br)[O-])[N+](=O)[O-]

InChI

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