(2R,3S,4S)-3-bromanyl-4-oxidanyl-1-(phenylcarbonyl)-3,4-dihydro-2H-quinoline-2-carbonitrile

Systemtic Name: (2R,3S,4S)-3-bromanyl-4-oxidanyl-1-(phenylcarbonyl)-3,4-dihydro-2H-quinoline-2-carbonitrile Openeye Name: (2R,3S,4S)-1-benzoyl-3-bromo-4-hydroxy-3,4-dihydro-2H-quinoline-2-carbonitrile CAS Name: (2R,3S,4S)-1-benzoyl-3-bromo-4-hydroxy-3,4-dihydro-2H-quinoline-2-carbonitrile IUPAC Name: (2R,3S,4S)-1-benzoyl-3-bromo-4-hydroxy-3,4-dihydro-2H-quinoline-2-carbonitrile Traditional Name: (2R,3S,4S)-1-benzoyl-3-bromo-4-hydroxy-3,4-dihydro-2H-quinoline-2-carbonitrile Formula: C17H13BrN2O2 MolecularWeight: 357.20132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(C(C(C3=CC=CC=C32)O)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2[C@@H]([C@@H]([C@H](C3=CC=CC=C32)O)Br)C#N

InChI

InChI=1S/C17H13BrN2O2/c18-15-14(10-19)20(17(22)11-6-2-1-3-7-11)13-9-5-4-8-12(13)16(15)21/h1-9,14-16,21H/t14-,15+,16+/m1/s1