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

Systemtic Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C22H17N4O3- MolecularWeight: 385.39538

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c1-13-9-16(21(27)20(10-13)26(28)29)12-23-19-11-15(8-7-14(19)2)22-24-17-5-3-4-6-18(17)25-22/h3-12,27H,1-2H3,(H,24,25)/p-1