ethyl (1R,1aS,7bS)-6-bromanyl-1-(4-chlorophenyl)carbonyl-1-methyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylate

Systemtic Name: ethyl (1R,1aS,7bS)-6-bromanyl-1-(4-chlorophenyl)carbonyl-1-methyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylate Openeye Name: ethyl (1R,1aS,7bS)-6-bromo-1-(4-chlorobenzoyl)-1-methyl-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylate CAS Name: (1R,1aS,7bS)-6-bromo-1-[(4-chlorophenyl)-oxomethyl]-1-methyl-2-oxo-7bH-cyclopropa[c][1]benzopyran-1a-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,1aS,7bS)-6-bromo-1-(4-chlorobenzoyl)-1-methyl-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylate Traditional Name: (1R,1aS,7bS)-6-bromo-1-(4-chlorobenzoyl)-2-keto-1-methyl-7bH-cyclopropa[c]chromene-1a-carboxylic acid ethyl ester Formula: C21H16BrClO5 MolecularWeight: 463.70574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C(C1(C)C(=O)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)Br)OC2=O

Isomeric SMILES

CCOC(=O)[C@]12[C@H]([C@@]1(C)C(=O)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)Br)OC2=O

InChI

InChI=1S/C21H16BrClO5/c1-3-27-18(25)21-16(14-10-12(22)6-9-15(14)28-19(21)26)20(21,2)17(24)11-4-7-13(23)8-5-11/h4-10,16H,3H2,1-2H3/t16-,20-,21-/m0/s1