[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C19H18ClN3O7 MolecularWeight: 435.81512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18ClN3O7/c1-28-16-8-12(14(23(26)27)9-17(16)29-2)19(25)30-10-18-21-13-4-3-11(20)7-15(13)22(18)5-6-24/h3-4,7-9,24H,5-6,10H2,1-2H3