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

Systemtic Name: 2-bromanyl-6-[[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]amino]methylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-4-chloro-6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-4-chloro-6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H17BrClNO2 MolecularWeight: 382.67938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC=C2C=C(C=C(C2=O)Br)Cl

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)NC=C2C=C(C=C(C2=O)Br)Cl

InChI

InChI=1S/C17H17BrClNO2/c1-3-10(2)11-4-5-16(21)15(7-11)20-9-12-6-13(19)8-14(18)17(12)22/h4-10,20-21H,3H2,1-2H3/t10-/m0/s1