5-tert-butyl-4-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-tert-butyl-4-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-tert-butyl-4-[(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-tert-butyl-4-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-tert-butyl-4-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-tert-butyl-4-[(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-phenyl-3-pyrazolin-3-one Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=CC(=O)C(=C3)O

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=CC(=O)C(=C3)O

InChI

InChI=1S/C20H20N2O3/c1-20(2,3)18-15(11-13-9-10-16(23)17(24)12-13)19(25)22(21-18)14-7-5-4-6-8-14/h4-12,21,24H,1-3H3