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

Systemtic Name: 2-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C20H11ClN3O4- MolecularWeight: 392.77204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=CC2=C(C(=CC=C2)[N+](=O)[O-])[O-])C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)N=CC2=C(C(=CC=C2)[N+](=O)[O-])[O-])C3=NC4=C(O3)C=CC(=C4)Cl

InChI

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