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

Systemtic Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloranyl-3,5-dimethyl-6-nitro-phenolate Openeye Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitro-phenolate CAS Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitrophenolate IUPAC Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitrophenolate Traditional Name: 2-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chloro-3,5-dimethyl-6-nitro-phenolate Formula: C22H14BrClN3O4- MolecularWeight: 499.72126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Cl)C)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=C(C(=C1Cl)C)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H15BrClN3O4/c1-11-16(21(28)20(27(29)30)12(2)19(11)24)10-25-15-6-7-18-17(9-15)26-22(31-18)13-4-3-5-14(23)8-13/h3-10,28H,1-2H3/p-1