1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 1-[4-(3-nitro-2-pyridyl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 1-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 1-[4-(3-nitropyridin-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 1-[4-(3-nitro-2-pyridyl)piperazino]prop-2-yn-1-one Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3/c1-2-11(17)14-6-8-15(9-7-14)12-10(16(18)19)4-3-5-13-12/h1,3-5H,6-9H2