5-chloranyl-2-(2-phenoxypropyl)-1H-pyrazol-3-one

Systemtic Name: 5-chloranyl-2-(2-phenoxypropyl)-1H-pyrazol-3-one Openeye Name: 5-chloro-2-(2-phenoxypropyl)-1H-pyrazol-3-one CAS Name: 5-chloro-2-(2-phenoxypropyl)-1H-pyrazol-3-one IUPAC Name: 5-chloro-2-(2-phenoxypropyl)-1H-pyrazol-3-one Traditional Name: 5-chloro-2-(2-phenoxypropyl)-3-pyrazolin-3-one Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C=C(N1)Cl)OC2=CC=CC=C2

Isomeric SMILES

CC(CN1C(=O)C=C(N1)Cl)OC2=CC=CC=C2

InChI

InChI=1S/C12H13ClN2O2/c1-9(17-10-5-3-2-4-6-10)8-15-12(16)7-11(13)14-15/h2-7,9,14H,8H2,1H3