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

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

CC(C(=O)O)N1C=CC(=N1)C(=O)NCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)O)N1C=CC(=N1)C(=O)NCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O5/c1-8(12(20)21)17-4-2-10(15-17)11(19)13-3-5-16-7-9(6-14-16)18(22)23/h2,4,6-8H,3,5H2,1H3,(H,13,19)(H,20,21)/t8-/m1/s1