3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-4-oxidanyl-benzenecarbonitrile Openeye Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzonitrile CAS Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]benzonitrile IUPAC Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzonitrile Traditional Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzonitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC=C[N+]1(C2=C(C=CC(=C2)C#N)O)[O-]

Isomeric SMILES

C/C=C/C1=NC=C[N+]1(C2=C(C=CC(=C2)C#N)O)[O-]

InChI

InChI=1S/C13H11N3O2/c1-2-3-13-15-6-7-16(13,18)11-8-10(9-14)4-5-12(11)17/h2-8,17H,1H3/b3-2+