6-[4-(4-tert-butylphenyl)carbonyl-1,2-dihydropyrazol-3-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-tert-butylphenyl)carbonyl-1,2-dihydropyrazol-3-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-tert-butylbenzoyl)-1,2-dihydropyrazol-3-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[(4-tert-butylphenyl)-oxomethyl]-1,2-dihydropyrazol-3-ylidene]-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-tert-butylbenzoyl)-1,2-dihydropyrazol-3-ylidene]-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-tert-butylbenzoyl)-3-pyrazolin-3-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNNC2=C3C=C(C=CC3=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNNC2=C3C=C(C=CC3=O)Cl

InChI

InChI=1S/C20H19ClN2O2/c1-20(2,3)13-6-4-12(5-7-13)19(25)16-11-22-23-18(16)15-10-14(21)8-9-17(15)24/h4-11,22-23H,1-3H3