ethyl 1-ethyl-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-(3-nitro-4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-(3-nitro-4-pyrrolidino-phenyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-3-25-18-9-8-16(22(27)30-4-2)13-17(18)23-21(25)15-7-10-19(20(14-15)26(28)29)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3