sodium 5-(4-fluorophenyl)carbonyl-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: sodium 5-(4-fluorophenyl)carbonyl-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: sodium 5-(4-fluorobenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: sodium 5-[(4-fluorophenyl)-oxomethyl]-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate IUPAC Name: sodium 5-(4-fluorobenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: sodium 5-(4-fluorobenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Formula: C16H13FNNaO3 MolecularWeight: 309.267493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=C(C=C3)F.[Na+]

Isomeric SMILES

CC1=C(N2CCC(C2=C1)C(=O)[O-])C(=O)C3=CC=C(C=C3)F.[Na+]

InChI

InChI=1S/C16H14FNO3.Na/c1-9-8-13-12(16(20)21)6-7-18(13)14(9)15(19)10-2-4-11(17)5-3-10;/h2-5,8,12H,6-7H2,1H3,(H,20,21);/q;+1/p-1