[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O5/c22-15-4-5-16-18(12-15)25(9-10-27)20(23-16)13-31-21(28)14-3-6-17(19(11-14)26(29)30)24-7-1-2-8-24/h3-6,11-12,27H,1-2,7-10,13H2