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

Systemtic Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C22H16N3O5- MolecularWeight: 402.37954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c1-13-9-15(21(26)19(10-13)25(27)28)12-23-16-5-8-20-18(11-16)24-22(30-20)14-3-6-17(29-2)7-4-14/h3-12,26H,1-2H3/p-1