(E)-4-pyrazol-1-ylbut-3-en-2-one

Systemtic Name: (E)-4-pyrazol-1-ylbut-3-en-2-one Openeye Name: (E)-4-pyrazol-1-ylbut-3-en-2-one CAS Name: (E)-4-(1-pyrazolyl)-3-buten-2-one IUPAC Name: (E)-4-pyrazol-1-ylbut-3-en-2-one Traditional Name: (E)-4-pyrazol-1-ylbut-3-en-2-one Formula: C7H8N2O MolecularWeight: 136.15122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CN1C=CC=N1

Isomeric SMILES

CC(=O)/C=C/N1C=CC=N1

InChI

InChI=1S/C7H8N2O/c1-7(10)3-6-9-5-2-4-8-9/h2-6H,1H3/b6-3+