sodium 5-(4-bromophenyl)-1-methyl-4-oxidanylidene-2-propyl-pyridine-3-carboxylate

Systemtic Name: sodium 5-(4-bromophenyl)-1-methyl-4-oxidanylidene-2-propyl-pyridine-3-carboxylate Openeye Name: sodium 5-(4-bromophenyl)-1-methyl-4-oxo-2-propyl-pyridine-3-carboxylate CAS Name: sodium 5-(4-bromophenyl)-1-methyl-4-oxo-2-propyl-3-pyridinecarboxylate IUPAC Name: sodium 5-(4-bromophenyl)-1-methyl-4-oxo-2-propylpyridine-3-carboxylate Traditional Name: sodium 5-(4-bromophenyl)-4-keto-1-methyl-2-propyl-nicotinate Formula: C16H15BrNNaO3 MolecularWeight: 372.18897

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C(=CN1C)C2=CC=C(C=C2)Br)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C(=O)C(=CN1C)C2=CC=C(C=C2)Br)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H16BrNO3.Na/c1-3-4-13-14(16(20)21)15(19)12(9-18(13)2)10-5-7-11(17)8-6-10;/h5-9H,3-4H2,1-2H3,(H,20,21);/q;+1/p-1