ethyl (3S)-5-ethyl-2-(3-methylphenyl)carbonyl-3-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl (3S)-5-ethyl-2-(3-methylphenyl)carbonyl-3-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl (3S)-5-ethyl-3-hydroxy-2-(3-methylbenzoyl)-4H-pyrazole-3-carboxylate CAS Name: (3S)-5-ethyl-3-hydroxy-2-[(3-methylphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-5-ethyl-3-hydroxy-2-(3-methylbenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: (3S)-5-ethyl-3-hydroxy-2-m-toluoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(=O)OCC)O)C(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCC1=NN([C@](C1)(C(=O)OCC)O)C(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C16H20N2O4/c1-4-13-10-16(21,15(20)22-5-2)18(17-13)14(19)12-8-6-7-11(3)9-12/h6-9,21H,4-5,10H2,1-3H3/t16-/m0/s1