2-[2-[2,3-bis(bromanyl)-4-methyl-5-(4-methylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: 2-[2-[2,3-bis(bromanyl)-4-methyl-5-(4-methylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: 2-[2-[2,3-dibromo-4-methyl-5-(4-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2,3-dibromo-4-methyl-5-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioate IUPAC Name: 2-[2-[2,3-dibromo-4-methyl-5-(4-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-(2,3-dibromo-4-methyl-5-p-toluoyl-pyrrol-1-yl)ethyl]malonate Formula: C18H15Br2NO5-2 MolecularWeight: 485.1234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2CCC(C(=O)[O-])C(=O)[O-])Br)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2CCC(C(=O)[O-])C(=O)[O-])Br)Br)C

InChI

InChI=1S/C18H17Br2NO5/c1-9-3-5-11(6-4-9)15(22)14-10(2)13(19)16(20)21(14)8-7-12(17(23)24)18(25)26/h3-6,12H,7-8H2,1-2H3,(H,23,24)(H,25,26)/p-2