ethanoic acid; (6E)-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: ethanoic acid; (6E)-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: acetic acid; (6E)-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: acetic acid; (6E)-6-(2-phenyl-1H-pyrazol-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: acetic acid; (6E)-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: acetic acid; (6E)-6-(2-phenyl-3-pyrazolin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)N2C(=C3C=CC=CC3=O)C=CN2

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)N2/C(=C/3\C=CC=CC3=O)/C=CN2

InChI

InChI=1S/C15H12N2O.C2H4O2/c18-15-9-5-4-8-13(15)14-10-11-16-17(14)12-6-2-1-3-7-12;1-2(3)4/h1-11,16H;1H3,(H,3,4)/b14-13+;