(4-nitrophenyl)methyl 2-(pyrrolidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl 2-(pyrrolidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate hydrochloride Openeye Name: (4-nitrophenyl)methyl 2-(pyrrolidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate hydrochloride CAS Name: 2-[oxo-(3-pyrrolidinylamino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl 2-(pyrrolidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate hydrochloride Traditional Name: 2-(pyrrolidin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester hydrochloride Formula: C17H23ClN4O5 MolecularWeight: 398.84132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3CCNC3.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3CCNC3.Cl

InChI

InChI=1S/C17H22N4O5.ClH/c22-16(19-13-7-8-18-10-13)15-2-1-9-20(15)17(23)26-11-12-3-5-14(6-4-12)21(24)25;/h3-6,13,15,18H,1-2,7-11H2,(H,19,22);1H