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

Systemtic Name: 1-[4-(3-nitropyridin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 1-[4-(3-nitro-4-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 1-[4-(3-nitro-4-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 1-[4-(3-nitropyridin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 1-[4-(3-nitro-4-pyridyl)piperazino]prop-2-en-1-one Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3/c1-2-12(17)15-7-5-14(6-8-15)10-3-4-13-9-11(10)16(18)19/h2-4,9H,1,5-8H2