3-[4-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[[2-(4-nitro-1-pyrazolyl)ethylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[2-(4-nitropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propionic acid Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CCC(=O)O)C(=O)NCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CCC(=O)O)C(=O)NCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O5/c19-11(20)1-3-16-7-9(5-14-16)12(21)13-2-4-17-8-10(6-15-17)18(22)23/h5-8H,1-4H2,(H,13,21)(H,19,20)