3-[(E)-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 3-[(E)-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 3-[(E)-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)acetyl]hydrazono]methyl]phenolate CAS Name: 3-[(E)-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-oxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 3-[(E)-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)acetyl]hydrazinylidene]methyl]phenolate Traditional Name: 3-[(E)-[[2-(2-methyl-1H-imidazol-3-ium-3-yl)acetyl]hydrazono]methyl]phenolate Formula: C13H14N4O2 MolecularWeight: 258.27586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC(=O)NN=CC2=CC(=CC=C2)[O-]

Isomeric SMILES

CC1=[N+](C=CN1)CC(=O)N/N=C/C2=CC(=CC=C2)[O-]

InChI

InChI=1S/C13H14N4O2/c1-10-14-5-6-17(10)9-13(19)16-15-8-11-3-2-4-12(18)7-11/h2-8H,9H2,1H3,(H2,16,18,19)/b15-8+