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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H17N3O5/c1-2-29-17-9-6-14(7-10-17)22-24-18-12-16(8-11-20(18)30-22)23-13-15-4-3-5-19(21(15)26)25(27)28/h3-13,26H,2H2,1H3/p-1