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

Systemtic Name: 2-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-methyl-4-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)Cl)N=CC4=CC(=CC(=C4[O-])C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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