disodium 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonyl-4H-pyridine-2,3-dicarboxylate hydrate

Systemtic Name: disodium 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonyl-4H-pyridine-2,3-dicarboxylate hydrate Openeye Name: disodium 4-(2-chlorophenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-4H-pyridine-2,3-dicarboxylate hydrate CAS Name: disodium 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-[oxo(propan-2-yloxy)methyl]-4H-pyridine-2,3-dicarboxylate hydrate IUPAC Name: disodium 4-(2-chlorophenyl)-1-ethyl-6-methyl-5-propan-2-yloxycarbonyl-4H-pyridine-2,3-dicarboxylate hydrate Traditional Name: disodium 4-(2-chlorophenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-4H-pyridine-2,3-dicarboxylate hydrate Formula: C20H22ClNNa2O7 MolecularWeight: 469.82372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(C(=C1C(=O)[O-])C(=O)[O-])C2=CC=CC=C2Cl)C(=O)OC(C)C)C.O.[Na+].[Na+]

Isomeric SMILES

CCN1C(=C(C(C(=C1C(=O)[O-])C(=O)[O-])C2=CC=CC=C2Cl)C(=O)OC(C)C)C.O.[Na+].[Na+]

InChI

InChI=1S/C20H22ClNO6.2Na.H2O/c1-5-22-11(4)14(20(27)28-10(2)3)15(12-8-6-7-9-13(12)21)16(18(23)24)17(22)19(25)26;;;/h6-10,15H,5H2,1-4H3,(H,23,24)(H,25,26);;;1H2/q;2*+1;/p-2