methyl 4-[(2R)-1-(3-bromanyl-4-methyl-phenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[(2R)-1-(3-bromanyl-4-methyl-phenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[(2R)-3-acetyl-1-(3-bromo-4-methyl-phenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[(2R)-3-acetyl-1-(3-bromo-4-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-acetyl-1-(3-bromo-4-methylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[(2R)-3-acetyl-1-(3-bromo-4-methyl-phenyl)-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2[C@@H](C(=C(C2=O)O)C(=O)C)C3=CC=C(C=C3)C(=O)OC)Br

InChI

InChI=1S/C21H18BrNO5/c1-11-4-9-15(10-16(11)22)23-18(17(12(2)24)19(25)20(23)26)13-5-7-14(8-6-13)21(27)28-3/h4-10,18,25H,1-3H3/t18-/m1/s1