(E)-4-(1,3-benzodioxol-5-yl)-1-pyridin-3-yl-but-2-en-1-one

Systemtic Name: (E)-4-(1,3-benzodioxol-5-yl)-1-pyridin-3-yl-but-2-en-1-one Openeye Name: (E)-4-(1,3-benzodioxol-5-yl)-1-(3-pyridyl)but-2-en-1-one CAS Name: (E)-4-(1,3-benzodioxol-5-yl)-1-(3-pyridinyl)-2-buten-1-one IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylbut-2-en-1-one Traditional Name: (E)-4-(1,3-benzodioxol-5-yl)-1-(3-pyridyl)but-2-en-1-one Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC=CC(=O)C3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C/C=C/C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H13NO3/c18-14(13-4-2-8-17-10-13)5-1-3-12-6-7-15-16(9-12)20-11-19-15/h1-2,4-10H,3,11H2/b5-1+