2-(2-propylpyrrolidin-1-yl)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(2-propylpyrrolidin-1-yl)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(2-propylpyrrolidin-1-yl)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-(2-propyl-1-pyrrolidinyl)ethyl ester hydrochloride IUPAC Name: 2-(2-propylpyrrolidin-1-yl)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-(2-propylpyrrolidino)ethyl ester hydrochloride Formula: C16H23ClN2O4 MolecularWeight: 342.81782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCCC1CCCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H22N2O4.ClH/c1-2-4-14-5-3-10-17(14)11-12-22-16(19)13-6-8-15(9-7-13)18(20)21;/h6-9,14H,2-5,10-12H2,1H3;1H