[4-[(3S)-5-(2-acetyloxy-5-chloranyl-phenyl)-2-ethanoyl-1,3-dihydropyrazol-3-yl]phenyl] ethanoate

Systemtic Name: [4-[(3S)-5-(2-acetyloxy-5-chloranyl-phenyl)-2-ethanoyl-1,3-dihydropyrazol-3-yl]phenyl] ethanoate Openeye Name: [4-[(3S)-5-(2-acetoxy-5-chloro-phenyl)-2-acetyl-1,3-dihydropyrazol-3-yl]phenyl] acetate CAS Name: acetic acid [4-[(3S)-2-acetyl-5-(2-acetyloxy-5-chlorophenyl)-1,3-dihydropyrazol-3-yl]phenyl] ester IUPAC Name: [4-[(3S)-2-acetyl-5-(2-acetyloxy-5-chlorophenyl)-1,3-dihydropyrazol-3-yl]phenyl] acetate Traditional Name: acetic acid [4-[(3S)-5-(2-acetoxy-5-chloro-phenyl)-2-acetyl-3-pyrazolin-3-yl]phenyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=C(N1)C2=C(C=CC(=C2)Cl)OC(=O)C)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CC(=O)N1[C@@H](C=C(N1)C2=C(C=CC(=C2)Cl)OC(=O)C)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C21H19ClN2O5/c1-12(25)24-20(15-4-7-17(8-5-15)28-13(2)26)11-19(23-24)18-10-16(22)6-9-21(18)29-14(3)27/h4-11,20,23H,1-3H3/t20-/m0/s1