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

Systemtic Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C22H16ClN4O4- MolecularWeight: 435.83984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C22H17ClN4O4/c1-2-31-20-11-15(27(29)30)9-13(21(20)28)12-24-14-7-8-17(23)16(10-14)22-25-18-5-3-4-6-19(18)26-22/h3-12,28H,2H2,1H3,(H,25,26)/p-1