1-[4-(5-nitropyridin-2-yl)piperazin-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-(5-nitropyridin-2-yl)piperazin-1-yl]butane-1,3-dione Openeye Name: 1-[4-(5-nitro-2-pyridyl)piperazin-1-yl]butane-1,3-dione CAS Name: 1-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-[4-(5-nitropyridin-2-yl)piperazin-1-yl]butane-1,3-dione Traditional Name: 1-[4-(5-nitro-2-pyridyl)piperazino]butane-1,3-dione Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4/c1-10(18)8-13(19)16-6-4-15(5-7-16)12-3-2-11(9-14-12)17(20)21/h2-3,9H,4-8H2,1H3