sodium 6-(4-chlorophenyl)-1-methyl-4-oxidanylidene-2-propyl-pyridine-3-carboxylate

Systemtic Name: sodium 6-(4-chlorophenyl)-1-methyl-4-oxidanylidene-2-propyl-pyridine-3-carboxylate Openeye Name: sodium 6-(4-chlorophenyl)-1-methyl-4-oxo-2-propyl-pyridine-3-carboxylate CAS Name: sodium 6-(4-chlorophenyl)-1-methyl-4-oxo-2-propyl-3-pyridinecarboxylate IUPAC Name: sodium 6-(4-chlorophenyl)-1-methyl-4-oxo-2-propylpyridine-3-carboxylate Traditional Name: sodium 6-(4-chlorophenyl)-4-keto-1-methyl-2-propyl-nicotinate Formula: C16H15ClNNaO3 MolecularWeight: 327.73797

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1C)C2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1C)C2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H16ClNO3.Na/c1-3-4-12-15(16(20)21)14(19)9-13(18(12)2)10-5-7-11(17)8-6-10;/h5-9H,3-4H2,1-2H3,(H,20,21);/q;+1/p-1