6-[[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]amino]methylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]amino]methylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H18ClNO2 MolecularWeight: 303.78332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC=C2C=C(C=CC2=O)Cl

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)NC=C2C=C(C=CC2=O)Cl

InChI

InChI=1S/C17H18ClNO2/c1-3-11(2)12-4-6-17(21)15(9-12)19-10-13-8-14(18)5-7-16(13)20/h4-11,19,21H,3H2,1-2H3/t11-/m0/s1