(1R,3S,4R)-4-bromanyl-3-methoxy-1-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbonitrile

Systemtic Name: (1R,3S,4R)-4-bromanyl-3-methoxy-1-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbonitrile Openeye Name: (1R,3S,4R)-4-bromo-1-hydroxy-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile CAS Name: (1R,3S,4R)-4-bromo-1-hydroxy-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile IUPAC Name: (1R,3S,4R)-4-bromo-1-hydroxy-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile Traditional Name: (1R,3S,4R)-4-bromo-1-hydroxy-3-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile Formula: C11H11BrN2O2 MolecularWeight: 283.12124

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC=CC=C2C(N1C#N)O)Br

Isomeric SMILES

CO[C@H]1[C@@H](C2=CC=CC=C2[C@H](N1C#N)O)Br

InChI

InChI=1S/C11H11BrN2O2/c1-16-11-9(12)7-4-2-3-5-8(7)10(15)14(11)6-13/h2-5,9-11,15H,1H3/t9-,10-,11+/m1/s1