1-[(2R)-1-[2-(4-nitropyrazol-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2R)-1-[2-(4-nitropyrazol-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-[2-(4-nitropyrazol-1-yl)ethylamino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-[2-(4-nitro-1-pyrazolyl)ethylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[2-(4-nitropyrazol-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[2-(4-nitropyrazol-1-yl)ethylamino]ethyl]pyrazole-3-carboxylate Formula: C12H13N6O5- MolecularWeight: 321.26882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCN1C=C(C=N1)[N+](=O)[O-])N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCN1C=C(C=N1)[N+](=O)[O-])N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C12H14N6O5/c1-8(17-4-2-10(15-17)12(20)21)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)/p-1/t8-/m1/s1