(4-nitrophenyl)methyl 2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-(1,2,4-triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[3-(1,2,4-triazol-1-yl)-1-pyrrolidinyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(1,2,4-triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-(1,2,4-triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H22N6O5 MolecularWeight: 414.41518

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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)N3CCC(C3)N4C=NC=N4

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC(C3)N4C=NC=N4

InChI

InChI=1S/C19H22N6O5/c26-18(22-9-7-16(10-22)24-13-20-12-21-24)17-2-1-8-23(17)19(27)30-11-14-3-5-15(6-4-14)25(28)29/h3-6,12-13,16-17H,1-2,7-11H2