[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC(=O)NC(C)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C19H23ClN4O4/c1-11(2)21-19(27)22-17(25)13(4)28-18(26)15-12(3)23-24(16(15)20)10-14-8-6-5-7-9-14/h5-9,11,13H,10H2,1-4H3,(H2,21,22,25,27)/t13-/m0/s1