3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-(6-bromo-1,3-benzodioxol-5-yl)-2-(piperidine-1-carbonyl)acrylonitrile Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

InChI

InChI=1S/C16H15BrN2O3/c17-13-8-15-14(21-10-22-15)7-11(13)6-12(9-18)16(20)19-4-2-1-3-5-19/h6-8H,1-5,10H2