4-[(E)-oxidanyl-(5-phenyl-1,2-dihydropyrazol-3-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[(E)-oxidanyl-(5-phenyl-1,2-dihydropyrazol-3-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[(E)-hydroxy-(5-phenyl-1,2-dihydropyrazol-3-ylidene)methyl]-1,2-benzoquinone CAS Name: 4-[(E)-hydroxy-(5-phenyl-1,2-dihydropyrazol-3-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[(E)-hydroxy-(5-phenyl-1,2-dihydropyrazol-3-ylidene)methyl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[(E)-hydroxy-(5-phenyl-3-pyrazolin-3-ylidene)methyl]-o-benzoquinone Formula: C16H12N2O3 MolecularWeight: 280.27808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C3=CC(=O)C(=O)C=C3)O)NN2

Isomeric SMILES

C1=CC=C(C=C1)C2=C/C(=C(/C3=CC(=O)C(=O)C=C3)\O)/NN2

InChI

InChI=1S/C16H12N2O3/c19-14-7-6-11(8-15(14)20)16(21)13-9-12(17-18-13)10-4-2-1-3-5-10/h1-9,17-18,21H/b16-13+