2-chloranyl-1-[4-(3-nitropyridin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-chloranyl-1-[4-(3-nitropyridin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-chloro-1-[4-(3-nitro-4-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 2-chloro-1-[4-(3-nitro-4-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-chloro-1-[4-(3-nitropyridin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-chloro-1-[4-(3-nitro-4-pyridyl)piperazino]propan-1-one Formula: C12H15ClN4O3 MolecularWeight: 298.7255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O3/c1-9(13)12(18)16-6-4-15(5-7-16)10-2-3-14-8-11(10)17(19)20/h2-3,8-9H,4-7H2,1H3