3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-isobutyl-pyrazole-4-carbaldehyde CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-isobutyl-pyrazole-4-carbaldehyde Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC3=C(C=C2)OCO3)C=O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC3=C(C=C2)OCO3)C=O

InChI

InChI=1S/C15H16N2O3/c1-10(2)6-17-7-12(8-18)15(16-17)11-3-4-13-14(5-11)20-9-19-13/h3-5,7-8,10H,6,9H2,1-2H3