(phenylmethyl) 4-(3-nitropyridin-2-yl)piperazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

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