(4-nitrophenyl)methyl N-[(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate CAS Name: N-[[3-(2-pyrrolidinyl)-1H-1,2,4-triazol-5-yl]methyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate Traditional Name: N-[(3-pyrrolidin-2-yl-1H-1,2,4-triazol-5-yl)methyl]carbamic acid (4-nitrobenzyl) ester Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NNC(=N2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C2=NNC(=N2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4/c22-15(25-9-10-3-5-11(6-4-10)21(23)24)17-8-13-18-14(20-19-13)12-2-1-7-16-12/h3-6,12,16H,1-2,7-9H2,(H,17,22)(H,18,19,20)