2-[2-[2,3-bis(bromanyl)-3-(3-ethoxycarbonylphenyl)carbonyl-4-ethyl-2H-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: 2-[2-[2,3-bis(bromanyl)-3-(3-ethoxycarbonylphenyl)carbonyl-4-ethyl-2H-pyrrol-1-yl]ethyl]propanedioate Openeye Name: 2-[2-[2,3-dibromo-3-(3-ethoxycarbonylbenzoyl)-4-ethyl-2H-pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2,3-dibromo-3-[(3-ethoxycarbonylphenyl)-oxomethyl]-4-ethyl-2H-pyrrol-1-yl]ethyl]propanedioate IUPAC Name: 2-[2-[2,3-dibromo-3-(3-ethoxycarbonylbenzoyl)-4-ethyl-2H-pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2,3-dibromo-3-(3-carbethoxybenzoyl)-4-ethyl-2-pyrrolin-1-yl]ethyl]malonate Formula: C21H21Br2NO7-2 MolecularWeight: 559.20194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(C1(C(=O)C2=CC(=CC=C2)C(=O)OCC)Br)Br)CCC(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CN(C(C1(C(=O)C2=CC(=CC=C2)C(=O)OCC)Br)Br)CCC(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H23Br2NO7/c1-3-14-11-24(9-8-15(17(26)27)18(28)29)20(22)21(14,23)16(25)12-6-5-7-13(10-12)19(30)31-4-2/h5-7,10-11,15,20H,3-4,8-9H2,1-2H3,(H,26,27)(H,28,29)/p-2