3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(6-nitro-3-pyridyl)piperazino]propionic acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=CN=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4/c17-12(18)3-4-14-5-7-15(8-6-14)10-1-2-11(13-9-10)16(19)20/h1-2,9H,3-8H2,(H,17,18)