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

Systemtic Name: methyl (1R,1aS,7bS)-6-bromanyl-1-methyl-1-(4-methylphenyl)carbonyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylate Openeye Name: methyl (1R,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylate CAS Name: (1R,1aS,7bS)-6-bromo-1-methyl-1-[(4-methylphenyl)-oxomethyl]-2-oxo-7bH-cyclopropa[c][1]benzopyran-1a-carboxylic acid methyl ester IUPAC Name: methyl (1R,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylate Traditional Name: (1R,1aS,7bS)-6-bromo-2-keto-1-methyl-1-p-toluoyl-7bH-cyclopropa[c]chromene-1a-carboxylic acid methyl ester Formula: C21H17BrO5 MolecularWeight: 429.26068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2(C3C2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@]2([C@H]3[C@@]2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)OC)C

InChI

InChI=1S/C21H17BrO5/c1-11-4-6-12(7-5-11)17(23)20(2)16-14-10-13(22)8-9-15(14)27-19(25)21(16,20)18(24)26-3/h4-10,16H,1-3H3/t16-,20-,21-/m0/s1