5-but-3-ynyl-2-methyl-3-oxidanylidene-1H-pyrazole-4-carbaldehyde

Systemtic Name: 5-but-3-ynyl-2-methyl-3-oxidanylidene-1H-pyrazole-4-carbaldehyde Openeye Name: 5-but-3-ynyl-2-methyl-3-oxo-1H-pyrazole-4-carbaldehyde CAS Name: 5-but-3-ynyl-2-methyl-3-oxo-1H-pyrazole-4-carboxaldehyde IUPAC Name: 5-but-3-ynyl-2-methyl-3-oxo-1H-pyrazole-4-carbaldehyde Traditional Name: 3-but-3-ynyl-5-keto-1-methyl-3-pyrazoline-4-carbaldehyde Formula: C9H10N2O2 MolecularWeight: 178.1879

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1)CCC#C)C=O

Isomeric SMILES

CN1C(=O)C(=C(N1)CCC#C)C=O

InChI

InChI=1S/C9H10N2O2/c1-3-4-5-8-7(6-12)9(13)11(2)10-8/h1,6,10H,4-5H2,2H3