ethyl (2R)-2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2R)-2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl (2R)-2-(3-nitro-2-oxo-1-phenyl-4-quinolyl)-3-oxo-butanoate CAS Name: (2R)-2-(3-nitro-2-oxo-1-phenyl-4-quinolinyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)-3-oxobutanoate Traditional Name: (2R)-3-keto-2-(2-keto-3-nitro-1-phenyl-4-quinolyl)butyric acid ethyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)[C@H](C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C21H18N2O6/c1-3-29-21(26)17(13(2)24)18-15-11-7-8-12-16(15)22(14-9-5-4-6-10-14)20(25)19(18)23(27)28/h4-12,17H,3H2,1-2H3/t17-/m0/s1