7-chloranyl-5-(3-ethoxycarbonylphenyl)carbonyl-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylate

Systemtic Name: 7-chloranyl-5-(3-ethoxycarbonylphenyl)carbonyl-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylate Openeye Name: 7-chloro-5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylate CAS Name: 7-chloro-5-[(3-ethoxycarbonylphenyl)-oxomethyl]-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylate IUPAC Name: 7-chloro-5-(3-ethoxycarbonylbenzoyl)-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylate Traditional Name: 5-(3-carbethoxybenzoyl)-7-chloro-6-ethyl-2,3-dihydropyrrolizine-1,1-dicarboxylate Formula: C21H18ClNO7-2 MolecularWeight: 431.82312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCC(C2=C1Cl)(C(=O)[O-])C(=O)[O-])C(=O)C3=CC(=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(N2CCC(C2=C1Cl)(C(=O)[O-])C(=O)[O-])C(=O)C3=CC(=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H20ClNO7/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)/p-2