methyl 6-bromanyl-4-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: methyl 6-bromanyl-4-[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl 6-bromo-4-[1-methyl-2-oxo-2-(p-tolyl)ethyl]-2-oxo-chromane-3-carboxylate CAS Name: 6-bromo-4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-bromo-4-[1-(4-methylphenyl)-1-oxopropan-2-yl]-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-4-[2-keto-1-methyl-2-(p-tolyl)ethyl]chroman-3-carboxylic acid methyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)C2C(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)C2C(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C21H19BrO5/c1-11-4-6-13(7-5-11)19(23)12(2)17-15-10-14(22)8-9-16(15)27-21(25)18(17)20(24)26-3/h4-10,12,17-18H,1-3H3