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

Systemtic Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitro-phenolate Formula: C22H17N4O4- MolecularWeight: 401.39478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c1-25(2)17-6-3-14(4-7-17)22-24-19-12-16(5-10-21(19)30-22)23-13-15-11-18(26(28)29)8-9-20(15)27/h3-13,27H,1-2H3/p-1