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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=C(C(=C(C(=C4[O-])[N+](=O)[O-])C)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=C(C(=C(C(=C4[O-])[N+](=O)[O-])C)Cl)C

InChI

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