[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCC2CCCO2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC[C@H]2CCCO2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O4/c1-12-16(17(19)22(21-12)13-6-3-2-4-7-13)18(24)26-11-15(23)20-10-14-8-5-9-25-14/h2-4,6-7,14H,5,8-11H2,1H3,(H,20,23)/t14-/m1/s1