(6E)-4-bromanyl-6-[[[(1S,2S)-2-oxidanylcyclohexyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-bromanyl-6-[[[(1S,2S)-2-oxidanylcyclohexyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-bromo-6-[[[(1S,2S)-2-hydroxycyclohexyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-bromo-6-[[[(1S,2S)-2-hydroxycyclohexyl]methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-bromo-6-[[[(1S,2S)-2-hydroxycyclohexyl]methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-bromo-6-[[[(1S,2S)-2-hydroxycyclohexyl]methylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C14H18BrNO2 MolecularWeight: 312.20222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CNC=C2C=C(C=CC2=O)Br)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)CN/C=C/2\C=C(C=CC2=O)Br)O

InChI

InChI=1S/C14H18BrNO2/c15-12-5-6-14(18)11(7-12)9-16-8-10-3-1-2-4-13(10)17/h5-7,9-10,13,16-17H,1-4,8H2/b11-9+/t10-,13-/m0/s1