2-[(3S)-5,6,7-trimethoxy-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanenitrile

Systemtic Name: 2-[(3S)-5,6,7-trimethoxy-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanenitrile Openeye Name: 2-[(3S)-5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetonitrile CAS Name: 2-[(3S)-5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetonitrile IUPAC Name: 2-[(3S)-5,6,7-trimethoxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetonitrile Traditional Name: 2-[(3S)-2-keto-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-3-yl]acetonitrile Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CC(C(=O)NC2=C1)CC#N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C[C@H](C(=O)NC2=C1)CC#N)OC)OC

InChI

InChI=1S/C14H16N2O4/c1-18-11-7-10-9(12(19-2)13(11)20-3)6-8(4-5-15)14(17)16-10/h7-8H,4,6H2,1-3H3,(H,16,17)/t8-/m1/s1