5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde Openeye Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carbaldehyde CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carbaldehyde Formula: C9H13ClN2O MolecularWeight: 200.66532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=O)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C=O)Cl)CC(C)C

InChI

InChI=1S/C9H13ClN2O/c1-6(2)4-12-9(10)8(5-13)7(3)11-12/h5-6H,4H2,1-3H3