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

Systemtic Name: 4-chloranyl-2-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-nitro-phenolate Formula: C21H12Cl2N3O4- MolecularWeight: 441.24368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C21H13Cl2N3O4/c1-11-2-3-12(21-25-17-8-14(22)4-5-19(17)30-21)7-16(11)24-10-13-6-15(23)9-18(20(13)27)26(28)29/h2-10,27H,1H3/p-1