[5,7-bis(bromanyl)quinolin-8-yl] (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (5,7-dibromo-8-quinolyl) (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate CAS Name: (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) (4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: (4Z)-4-hydroximino-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid (5,7-dibromo-8-quinolyl) ester Formula: C21H18Br2N2O4 MolecularWeight: 522.18662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NO)CC(C2)(C)C)C(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

Isomeric SMILES

CC1=C(OC2=C1/C(=N\O)/CC(C2)(C)C)C(=O)OC3=C(C=C(C4=C3N=CC=C4)Br)Br

InChI

InChI=1S/C21H18Br2N2O4/c1-10-16-14(25-27)8-21(2,3)9-15(16)28-18(10)20(26)29-19-13(23)7-12(22)11-5-4-6-24-17(11)19/h4-7,27H,8-9H2,1-3H3/b25-14-