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

Systemtic Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-nitro-phenolate Formula: C22H17N4O4- MolecularWeight: 401.39478

Click to see the large picture

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