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

Systemtic Name: 2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C24H20N3O5- MolecularWeight: 430.4327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)C)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)C)[O-]

InChI

InChI=1S/C24H21N3O5/c1-4-31-22-12-19(27(29)30)10-17(23(22)28)13-25-18-7-8-21-20(11-18)26-24(32-21)16-6-5-14(2)15(3)9-16/h5-13,28H,4H2,1-3H3/p-1