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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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