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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC[C@@]1([C@H]2[C@@]1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC)C(=O)C4=CC=C(C=C4)Cl

InChI

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