[1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride

Systemtic Name: [1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride Openeye Name: [1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid [1-[2-(4-chlorophenyl)ethyl]-3-pyrrolidinyl] ester hydrochloride IUPAC Name: [1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl] 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid [1-[2-(4-chlorophenyl)ethyl]pyrrolidin-3-yl] ester hydrochloride Formula: C19H20Cl2N2O4 MolecularWeight: 411.2791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4.ClH/c20-16-5-1-14(2-6-16)9-11-21-12-10-18(13-21)26-19(23)15-3-7-17(8-4-15)22(24)25;/h1-8,18H,9-13H2;1H