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

Systemtic Name: 2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-nitro-phenolate Formula: C20H11ClN3O4- MolecularWeight: 392.77204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)N=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=NC2=CC3=C(C=C2)N=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H12ClN3O4/c21-14-6-4-12(5-7-14)20-23-16-9-8-15(10-18(16)28-20)22-11-13-2-1-3-17(19(13)25)24(26)27/h1-11,25H/p-1