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

Systemtic Name: 1-[(2R)-1-[2-(4-chloranylpyrazol-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-2-[2-(4-chloropyrazol-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-[2-(4-chloro-1-pyrazolyl)ethylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C12H13ClN5O3- MolecularWeight: 310.71632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN5O3/c1-8(18-4-2-10(16-18)12(20)21)11(19)14-3-5-17-7-9(13)6-15-17/h2,4,6-8H,3,5H2,1H3,(H,14,19)(H,20,21)/p-1/t8-/m1/s1