sodium 5-bromanyl-1-methyl-4-oxidanylidene-2,6-diphenyl-pyridine-3-carboxylate

Systemtic Name: sodium 5-bromanyl-1-methyl-4-oxidanylidene-2,6-diphenyl-pyridine-3-carboxylate Openeye Name: sodium 5-bromo-1-methyl-4-oxo-2,6-diphenyl-pyridine-3-carboxylate CAS Name: sodium 5-bromo-1-methyl-4-oxo-2,6-diphenyl-3-pyridinecarboxylate IUPAC Name: sodium 5-bromo-1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate Traditional Name: sodium 5-bromo-4-keto-1-methyl-2,6-diphenyl-nicotinate Formula: C19H13BrNNaO3 MolecularWeight: 406.20519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)C(=C1C2=CC=CC=C2)Br)C(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

CN1C(=C(C(=O)C(=C1C2=CC=CC=C2)Br)C(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C19H14BrNO3.Na/c1-21-16(12-8-4-2-5-9-12)14(19(23)24)18(22)15(20)17(21)13-10-6-3-7-11-13;/h2-11H,1H3,(H,23,24);/q;+1/p-1