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

Systemtic Name: 4-chloranyl-2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Formula: C22H15ClN3O4- MolecularWeight: 420.8252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4/c1-12-3-4-14(7-13(12)2)22-25-18-10-17(5-6-20(18)30-22)24-11-15-8-16(23)9-19(21(15)27)26(28)29/h3-11,27H,1-2H3/p-1