1-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]but-2-en-1-one

Systemtic Name: 1-[2-[2-(1,3-benzodioxol-5-yl)ethanoyl]pyrazolidin-1-yl]but-2-en-1-one Openeye Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]but-2-en-1-one CAS Name: 1-[2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-1-pyrazolidinyl]-2-buten-1-one IUPAC Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]but-2-en-1-one Traditional Name: 1-[2-[2-(1,3-benzodioxol-5-yl)acetyl]pyrazolidin-1-yl]but-2-en-1-one Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC=CC(=O)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O4/c1-2-4-15(19)17-7-3-8-18(17)16(20)10-12-5-6-13-14(9-12)22-11-21-13/h2,4-6,9H,3,7-8,10-11H2,1H3