2-[(E)-3-(3-chlorophenyl)prop-2-enyl]-4-methyl-1H-pyrazol-3-one

Systemtic Name: 2-[(E)-3-(3-chlorophenyl)prop-2-enyl]-4-methyl-1H-pyrazol-3-one Openeye Name: 2-[(E)-3-(3-chlorophenyl)allyl]-4-methyl-1H-pyrazol-3-one CAS Name: 2-[(E)-3-(3-chlorophenyl)prop-2-enyl]-4-methyl-1H-pyrazol-3-one IUPAC Name: 2-[(E)-3-(3-chlorophenyl)prop-2-enyl]-4-methyl-1H-pyrazol-3-one Traditional Name: 2-[(E)-3-(3-chlorophenyl)allyl]-4-methyl-3-pyrazolin-3-one Formula: C13H13ClN2O MolecularWeight: 248.70812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNN(C1=O)CC=CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CNN(C1=O)C/C=C/C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H13ClN2O/c1-10-9-15-16(13(10)17)7-3-5-11-4-2-6-12(14)8-11/h2-6,8-9,15H,7H2,1H3/b5-3+