6-[4-(4-chloranylphenoxy)-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-chloranylphenoxy)-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-chlorophenoxy)-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-chlorophenoxy)-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-chlorophenoxy)-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-chlorophenoxy)-3-pyrazolin-3-ylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one Formula: C17H15ClN2O3 MolecularWeight: 330.7656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=CNN2)OC3=CC=C(C=C3)Cl)C(=O)C=C1O

Isomeric SMILES

CCC1=CC(=C2C(=CNN2)OC3=CC=C(C=C3)Cl)C(=O)C=C1O

InChI

InChI=1S/C17H15ClN2O3/c1-2-10-7-13(15(22)8-14(10)21)17-16(9-19-20-17)23-12-5-3-11(18)4-6-12/h3-9,19-21H,2H2,1H3