[1-[2-(3H-1,2-benzodioxol-6-yl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride

Systemtic Name: [1-[2-(3H-1,2-benzodioxol-6-yl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride Openeye Name: [1-[2-(3H-1,2-benzodioxol-6-yl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [1-[2-(3H-1,2-benzodioxol-6-yl)ethyl]-3-pyrrolidinyl] ester hydrochloride IUPAC Name: [1-[2-(3H-1,2-benzodioxol-6-yl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [1-[2-(3H-1,2-benzodioxol-6-yl)ethyl]pyrrolidin-3-yl] ester hydrochloride Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC4=C(COO4)C=C3.Cl

Isomeric SMILES

C1CN(CC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC4=C(COO4)C=C3.Cl

InChI

InChI=1S/C20H20N2O6.ClH/c23-20(15-3-5-17(6-4-15)22(24)25)27-18-8-10-21(12-18)9-7-14-1-2-16-13-26-28-19(16)11-14;/h1-6,11,18H,7-10,12-13H2;1H