(E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-yl-prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-ylprop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-pyrazol-1-yl-prop-2-en-1-one Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)N3C=CC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)N3C=CC=N3

InChI

InChI=1S/C13H10N2O3/c16-13(15-7-1-6-14-15)5-3-10-2-4-11-12(8-10)18-9-17-11/h1-8H,9H2/b5-3+