2-[2-ethyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]ethanoate

Systemtic Name: 2-[2-ethyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]ethanoate Openeye Name: 2-[2-ethyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]acetate CAS Name: 2-[2-ethyl-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]acetate IUPAC Name: 2-[2-ethyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-2-ium-2-yl]acetate Traditional Name: 2-[1-ethyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-3-pyrazolin-1-ium-1-yl]acetate Formula: C19H18N2O3 MolecularWeight: 322.35782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C2C=CC(=O)C=C2)C(=CN1)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=C2C=CC(=O)C=C2)C(=CN1)C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C19H18N2O3/c1-2-21(13-18(23)24)19(15-8-10-16(22)11-9-15)17(12-20-21)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H-,20,22,23,24)