5-chloranyl-2-[(E)-3-phenylprop-2-enyl]-1H-pyrazol-3-one

Systemtic Name: 5-chloranyl-2-[(E)-3-phenylprop-2-enyl]-1H-pyrazol-3-one Openeye Name: 5-chloro-2-[(E)-cinnamyl]-1H-pyrazol-3-one CAS Name: 5-chloro-2-[(E)-3-phenylprop-2-enyl]-1H-pyrazol-3-one IUPAC Name: 5-chloro-2-[(E)-3-phenylprop-2-enyl]-1H-pyrazol-3-one Traditional Name: 5-chloro-2-[(E)-cinnamyl]-3-pyrazolin-3-one Formula: C12H11ClN2O MolecularWeight: 234.68154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCN2C(=O)C=C(N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CN2C(=O)C=C(N2)Cl

InChI

InChI=1S/C12H11ClN2O/c13-11-9-12(16)15(14-11)8-4-7-10-5-2-1-3-6-10/h1-7,9,14H,8H2/b7-4+