3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isobutyl-pyrazole-4-carbaldehyde CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylpropyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isobutyl-pyrazole-4-carbaldehyde Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C=O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C=O

InChI

InChI=1S/C16H18N2O3/c1-11(2)8-18-9-13(10-19)16(17-18)12-3-4-14-15(7-12)21-6-5-20-14/h3-4,7,9-11H,5-6,8H2,1-2H3