2-butyl-5-methyl-pyrazole-3,4-dione

Systemtic Name: 2-butyl-5-methyl-pyrazole-3,4-dione Openeye Name: 2-butyl-5-methyl-pyrazole-3,4-dione CAS Name: 2-butyl-5-methylpyrazole-3,4-dione IUPAC Name: 2-butyl-5-methylpyrazole-3,4-dione Traditional Name: 2-butyl-5-methyl-2-pyrazoline-3,4-quinone Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=O)C(=N1)C

Isomeric SMILES

CCCCN1C(=O)C(=O)C(=N1)C

InChI

InChI=1S/C8H12N2O2/c1-3-4-5-10-8(12)7(11)6(2)9-10/h3-5H2,1-2H3