2-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate

Systemtic Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Formula: C21H14ClN4O3- MolecularWeight: 405.81386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C21H15ClN4O3/c1-12-8-15(26(28)29)9-13(20(12)27)11-23-14-6-7-17(22)16(10-14)21-24-18-4-2-3-5-19(18)25-21/h2-11,27H,1H3,(H,24,25)/p-1