3-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]-4-oxidanyl-benzenecarbonitrile Openeye Name: 4-hydroxy-3-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]benzonitrile CAS Name: 4-hydroxy-3-[(E)-3-(1H-imidazol-2-yl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-hydroxy-3-[(E)-3-(1H-imidazol-2-yl)prop-2-enoyl]benzonitrile Traditional Name: 4-hydroxy-3-[(E)-3-(1H-imidazol-2-yl)acryloyl]benzonitrile Formula: C13H9N3O2 MolecularWeight: 239.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)C(=O)C=CC2=NC=CN2)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)C(=O)/C=C/C2=NC=CN2)O

InChI

InChI=1S/C13H9N3O2/c14-8-9-1-2-11(17)10(7-9)12(18)3-4-13-15-5-6-16-13/h1-7,17H,(H,15,16)/b4-3+