3-[(3S)-7-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanenitrile

Systemtic Name: 3-[(3S)-7-bromanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanenitrile Openeye Name: 3-[(3S)-7-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile CAS Name: 3-[(3S)-7-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile IUPAC Name: 3-[(3S)-7-bromo-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanenitrile Traditional Name: 3-[(3S)-7-bromo-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionitrile Formula: C12H11BrN2O MolecularWeight: 279.13254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=C1C=CC(=C2)Br)CCC#N

Isomeric SMILES

C1[C@@H](C(=O)NC2=C1C=CC(=C2)Br)CCC#N

InChI

InChI=1S/C12H11BrN2O/c13-10-4-3-8-6-9(2-1-5-14)12(16)15-11(8)7-10/h3-4,7,9H,1-2,6H2,(H,15,16)/t9-/m0/s1