2-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-benzyl-6-nitro-phenolate CAS Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]iminomethyl]-4-benzyl-6-nitrophenolate Traditional Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-benzyl-6-nitro-phenolate Formula: C28H21N4O3- MolecularWeight: 461.49134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O3/c1-18-11-12-21(28-30-23-9-5-6-10-24(23)31-28)16-25(18)29-17-22-14-20(13-19-7-3-2-4-8-19)15-26(27(22)33)32(34)35/h2-12,14-17,33H,13H2,1H3,(H,30,31)/p-1