3-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(5-nitro-2-furyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(5-nitro-2-furanyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[(5-nitro-2-furyl)methyl]piperazino]propionic acid Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c16-12(17)3-4-13-5-7-14(8-6-13)9-10-1-2-11(20-10)15(18)19/h1-2H,3-9H2,(H,16,17)