3-[4-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]piperazino]propionitrile Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=O)C=CC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C(=O)/C=C/C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C16H19N3O3/c17-6-1-7-18-8-10-19(11-9-18)16(22)5-3-13-2-4-14(20)15(21)12-13/h2-5,12,20-21H,1,7-11H2/b5-3+