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

Systemtic Name: 4-chloranyl-3,5-dimethyl-2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate CAS Name: 4-chloro-3,5-dimethyl-2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-3,5-dimethyl-2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-3,5-dimethyl-2-nitro-6-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]iminomethyl]phenolate Formula: C23H17ClN3O4- MolecularWeight: 434.85178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=C(C(=C4[O-])[N+](=O)[O-])C)Cl)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=C(C(=C4[O-])[N+](=O)[O-])C)Cl)C

InChI

InChI=1S/C23H18ClN3O4/c1-12-6-4-5-7-16(12)23-26-18-10-15(8-9-19(18)31-23)25-11-17-13(2)20(24)14(3)21(22(17)28)27(29)30/h4-11,28H,1-3H3/p-1