sodium 1-methyl-4-oxidanylidene-3-propan-2-yl-azetidine-2,2-dicarboxylate

Systemtic Name: sodium 1-methyl-4-oxidanylidene-3-propan-2-yl-azetidine-2,2-dicarboxylate Openeye Name: sodium 3-isopropyl-1-methyl-4-oxo-azetidine-2,2-dicarboxylate CAS Name: sodium 1-methyl-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylate IUPAC Name: sodium 1-methyl-4-oxo-3-propan-2-ylazetidine-2,2-dicarboxylate Traditional Name: sodium 3-isopropyl-4-keto-1-methyl-azetidine-2,2-dicarboxylate Formula: C9H11NNaO5- MolecularWeight: 236.17711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C1(C(=O)[O-])C(=O)[O-])C.[Na+]

Isomeric SMILES

CC(C)C1C(=O)N(C1(C(=O)[O-])C(=O)[O-])C.[Na+]

InChI

InChI=1S/C9H13NO5.Na/c1-4(2)5-6(11)10(3)9(5,7(12)13)8(14)15;/h4-5H,1-3H3,(H,12,13)(H,14,15);/q;+1/p-2