methyl 6-bromanyl-3-(2,2-dimethylpropanoyl)-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: methyl 6-bromanyl-3-(2,2-dimethylpropanoyl)-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: methyl 6-bromo-3-(2,2-dimethylpropanoyl)-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-bromo-3-(2,2-dimethyl-1-oxopropyl)-4-oxo-1H-quinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 6-bromo-3-(2,2-dimethylpropanoyl)-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 6-bromo-4-keto-3-pivaloyl-1H-quinoline-2-carboxylic acid methyl ester Formula: C16H16BrNO4 MolecularWeight: 366.20654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H16BrNO4/c1-16(2,3)14(20)11-12(15(21)22-4)18-10-6-5-8(17)7-9(10)13(11)19/h5-7H,1-4H3,(H,18,19)