4-methoxy-2-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-methoxy-2-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-methoxy-2-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-methoxy-2-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-methoxy-2-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-methoxy-2-[(2-methyl-3H-benzimidazol-5-yl)iminomethyl]-6-nitro-phenolate Formula: C16H13N4O4- MolecularWeight: 325.29882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])OC

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C16H14N4O4/c1-9-18-13-4-3-11(6-14(13)19-9)17-8-10-5-12(24-2)7-15(16(10)21)20(22)23/h3-8,21H,1-2H3,(H,18,19)/p-1