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

Systemtic Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butane-1,3-dione Openeye Name: 1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]butane-1,3-dione CAS Name: 1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butane-1,3-dione Traditional Name: 1-[4-(3-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=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(=O)N1CCN(CC1)C2=C(C=CC=N2)[N+](=O)[O-]

InChI

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