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

Systemtic Name: 2-methoxy-6-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-methoxy-6-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-methoxy-6-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-methoxy-6-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-methoxy-6-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C22H16N3O6- MolecularWeight: 418.37894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=CC(=C4[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6/c1-29-17-5-3-4-13(9-17)22-24-18-10-15(6-7-19(18)31-22)23-12-14-8-16(25(27)28)11-20(30-2)21(14)26/h3-12,26H,1-2H3/p-1