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

Systemtic Name: (4-nitrophenyl)methyl 2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate CAS Name: 2-(1H-1,2,4-triazol-5-ylmethoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCC3=NC=NN3

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCC3=NC=NN3

InChI

InChI=1S/C16H19N5O5/c22-16(26-8-12-3-5-13(6-4-12)21(23)24)20-7-1-2-14(20)9-25-10-15-17-11-18-19-15/h3-6,11,14H,1-2,7-10H2,(H,17,18,19)