7-bromanyl-5-(3-ethoxycarbonylphenyl)carbonyl-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid

Systemtic Name: 7-bromanyl-5-(3-ethoxycarbonylphenyl)carbonyl-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Openeye Name: 7-bromo-5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid CAS Name: 7-bromo-5-[(3-ethoxycarbonylphenyl)-oxomethyl]-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid IUPAC Name: 7-bromo-5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Traditional Name: 7-bromo-5-(3-carbethoxybenzoyl)-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Formula: C21H20BrNO7 MolecularWeight: 478.29

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCC(C2=C1Br)(C(=O)O)C(=O)O)C(=O)C3=CC(=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(N2CCC(C2=C1Br)(C(=O)O)C(=O)O)C(=O)C3=CC(=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H20BrNO7/c1-3-13-14(22)17-21(19(26)27,20(28)29)8-9-23(17)15(13)16(24)11-6-5-7-12(10-11)18(25)30-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,26,27)(H,28,29)