(1S,2E,4R)-4,7,7-trimethyl-2-[(8-nitroquinolin-7-yl)methylidene]bicyclo[2.2.1]heptan-3-one

Systemtic Name: (1S,2E,4R)-4,7,7-trimethyl-2-[(8-nitroquinolin-7-yl)methylidene]bicyclo[2.2.1]heptan-3-one Openeye Name: (1R,3E,4S)-1,7,7-trimethyl-3-[(8-nitro-7-quinolyl)methylene]norbornan-2-one CAS Name: (1S,2E,4R)-4,7,7-trimethyl-2-[(8-nitro-7-quinolinyl)methylidene]-3-bicyclo[2.2.1]heptanone IUPAC Name: (1S,2E,4R)-4,7,7-trimethyl-2-[(8-nitroquinolin-7-yl)methylidene]bicyclo[2.2.1]heptan-3-one Traditional Name: (1R,3E,4S)-1,7,7-trimethyl-3-[(8-nitro-7-quinolyl)methylene]norbornan-2-one Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2=CC3=C(C4=C(C=CC=N4)C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

C[C@@]12CC[C@@H](C1(C)C)/C(=C\C3=C(C4=C(C=CC=N4)C=C3)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C20H20N2O3/c1-19(2)15-8-9-20(19,3)18(23)14(15)11-13-7-6-12-5-4-10-21-16(12)17(13)22(24)25/h4-7,10-11,15H,8-9H2,1-3H3/b14-11+/t15-,20+/m1/s1