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

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

C1CCN(C1)C2=NNC(=N2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NNC(=N2)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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