1-butyl-2,6-bis(4-chlorophenyl)-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-butyl-2,6-bis(4-chlorophenyl)-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-butyl-2,6-bis(4-chlorophenyl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-butyl-2,6-bis(4-chlorophenyl)-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-butyl-2,6-bis(4-chlorophenyl)-4-oxopyridine-3-carboxylic acid Traditional Name: 1-butyl-2,6-bis(4-chlorophenyl)-4-keto-nicotinic acid Formula: C22H19Cl2NO3 MolecularWeight: 416.29716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)Cl)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=CC(=O)C(=C1C2=CC=C(C=C2)Cl)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19Cl2NO3/c1-2-3-12-25-18(14-4-8-16(23)9-5-14)13-19(26)20(22(27)28)21(25)15-6-10-17(24)11-7-15/h4-11,13H,2-3,12H2,1H3,(H,27,28)