[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-[(2S,6S)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-12-9-22(10-13(2)27-12)16(24)11-26-19(25)17-14(3)21-23(18(17)20)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3/t12-,13-/m0/s1