3-[4-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(4-nitro-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazino]propionic acid Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c17-11(18)1-2-14-3-5-15(6-4-14)12(19)10-7-9(8-13-10)16(20)21/h7-8,13H,1-6H2,(H,17,18)