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

Systemtic Name: ethyl (1R,1aS,7bS)-6-bromanyl-1-methyl-1-(4-methylphenyl)carbonyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C22H19BrO5 MolecularWeight: 443.28726

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H19BrO5/c1-4-27-19(25)22-17(15-11-14(23)9-10-16(15)28-20(22)26)21(22,3)18(24)13-7-5-12(2)6-8-13/h5-11,17H,4H2,1-3H3/t17-,21-,22-/m0/s1