(4-nitrophenyl)methyl 2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate CAS Name: 2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate Traditional Name: 2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H15N5O4 MolecularWeight: 317.3

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=NN3

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=NN3

InChI

InChI=1S/C14H15N5O4/c20-14(18-7-1-2-12(18)13-15-9-16-17-13)23-8-10-3-5-11(6-4-10)19(21)22/h3-6,9,12H,1-2,7-8H2,(H,15,16,17)