7-bromanyl-2,3,6-trimethyl-5-(phenylcarbonyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid

Systemtic Name: 7-bromanyl-2,3,6-trimethyl-5-(phenylcarbonyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Openeye Name: 5-benzoyl-7-bromo-2,3,6-trimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid CAS Name: 5-benzoyl-7-bromo-2,3,6-trimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid IUPAC Name: 5-benzoyl-7-bromo-2,3,6-trimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Traditional Name: 5-benzoyl-7-bromo-2,3,6-trimethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N2C(=C(C(=C2C1(C(=O)O)C(=O)O)Br)C)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1C(N2C(=C(C(=C2C1(C(=O)O)C(=O)O)Br)C)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H18BrNO5/c1-9-13(20)16-19(17(23)24,18(25)26)10(2)11(3)21(16)14(9)15(22)12-7-5-4-6-8-12/h4-8,10-11H,1-3H3,(H,23,24)(H,25,26)