(phenylmethyl) 3-nitro-4-pyridin-2-yl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-nitro-4-pyridin-2-yl-piperazine-1-carboxylate Openeye Name: benzyl 3-nitro-4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 3-nitro-4-(2-pyridinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitro-4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 3-nitro-4-(2-pyridyl)piperazine-1-carboxylic acid benzyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C17H18N4O4/c22-17(25-13-14-6-2-1-3-7-14)19-10-11-20(16(12-19)21(23)24)15-8-4-5-9-18-15/h1-9,16H,10-13H2