(4R)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C

InChI

InChI=1S/C19H19N3O3/c1-11-14(10-20)17(12-5-4-6-13(7-12)22(24)25)18-15(21-11)8-19(2,3)9-16(18)23/h4-7,14,17H,8-9H2,1-3H3/t14?,17-/m0/s1